AffinDB 1 - Affinity Database For Protein-Ligand Complexes
5 user(s) online
Marburg, Sunday, February 12th, 2012
Home
Search
Browse
Contact
Help
Reference
Test DrugScore Online
Affinity data: 748
Covered PDBs: 474
Latest Entries
Search Database
Affinity Data
exact:
range:
-
Unit:
-- Please select --
pIC50
pKi
pKd
pKi/pKd
pIC50/pKi/pKd
Temperature (K)
exact:
range:
-
pH
exact:
range:
-
E.C. Number
PDB Code
(use * as wildcard, eg. 1et*)
Molecule Name
-- Please select --
100 1-(5-Chloroindol-3-Yl)-3-Hydroxy-3-(2h-T...
189 N-Benzyl-2-(2,6-Dimethylphenoxy)-N-[((3r...
1DA 1-Deaza-Adenosine
1PC 1-(Phenylcyclohexyl)Piperidine
1PM N-[(1,3-Benzodioxol-5-Yl)Methyl]-1-[2-(1...
2AM 2'-Adenylic Acid
2GP Guanosine-2'-Monophosphate
2PG 2-Phosphoglyceric Acid
2PL Phosphoglycolic Acid
450 {[4-R(-4-Alpha,5-Alpha,6-Beta,7-Beta)]-H...
478 Vx-478 (See Compnd Record)
4AM 4-Amino-2-Deoxy-2,3-Dehydro-N-Neuraminic...
4NC 4-Nitrocatechol
638 [4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[...
6PG 6-Phosphogluconic Acid
761 3-(Oxalyl-Amino)-Naphthalene-2-Carboxyli...
815 Thieno[3,2-B]Pyridine-2-Sulfonic Acid [1...
846 [4r--(1alpha,5alpha,7beta)]-3-[(Cyclopro...
878 5-Iodo-2-(Oxalyl-Amino)-Benzoic Acid
A76 A-76889
A78 A-78791
AAH 1-[N-4'-Nitrobenzyl-N-4 Carboxybutylamin...
AAN 2-(4-Nitrophenyl)Acetic Acid
ACA 6-Aminohexanoic Acid(Aminocaproic Acid) ...
ACE-1PA-GLU-GLU-ILE
ACE-ALA-PRO-VAL-FPA
ACE-APSYSPPPP
ACE-PHE-HIS-PRO-NH2
ACE-QFHP-BAL-BAL
ACE-SLNF-CH2-PRO-ILE-VAL-OME
ACE-THR-ILE-NLE-NLE-GLN-ARG-NH2
ACE-VAL-VAL-STA-ALA-STA
ACO Acetyl Coenzyme *A
ADN Adamantanone
AE2 Aetiocholanolone
AGB N-(1-Adamantyl)-N'-(4-Guanidinobenzyl)Ur...
AGF O-(((1r)-((N-(Phenylmethoxycarbonyl)-L-A...
AHG 2,5-Anhydroglucitol-1,6-Biphosphate
AIQ 2,6-Diamino-8-(1h-Imidazol-2-Ylsulfanylm...
AL1 3,,4-Dihydro-2-(3-Methoxyphenyl)-2h-Thie...
AL2 3,4-Dihydro-4-Hydroxy-2-(4-Methoxyphenyl...
AL3 3,4-Dihydro-4-Hydroxy-2-(2-Thienymethyl)...
AL4 (R)-4-Ethylamino-3,4-Dihydro-2-(2-Methoy...
AL5 N-[4-Methylohenyl)Methyl]2,5-Thiophenedi...
AL6 2-(3-Methoxyphenyl)-2h-Thieno-[3,2-E]-1,...
AL7 (S)-3,4-Dihydro-2-(3-Methoxyphenyl)-4-Me...
AL9 N-[(4-Methoxyphenyl)Methyl]2,5-Thiophene...
AMC Aminomethylcyclohexane
AMP Adenosine Monophosphate
ANH Methyl N-[(4-Methylphenyl)Sulfonyl]Glycy...
ANO 5-Beta-Androstane-3,17-Dione
APH 2-(4-Hydroxyphenyl)Acetic Acid
APQ 2,6-Diamino-8-Propylsulfanylmethyl-3h-Qu...
APZ 4-Aminophthalhydrazide
AQO 2-Aminoquinazolin-4(3h)-One
ARA Alpha-L-Arabinose
AZM 5-Acetamido-1,3,4-Thiadiazole-2-Sulfonam...
BAM Benzamidine
BBA 2,7-Bis-(4-Amidinobenzylidene)-Cyclohept...
BCC-ARG-THZ
BDI 2-Butyl-5,6-Dihydro-1h-Imidazo[4,5-D]Pyr...
BE5 (2r,3r,4r,5r)-2,5-Bis[(2,3-Difluorobenzy...
BHB 2,6-Diamino-8-(2-Dimethylaminoethylsulfa...
BIC-ARG-EOA
BIO Biopterin
BNA-HIS-CAL-DCI
BNS-RON-GLY-1PI
BNZ Benzene
BOC-FOG-CHS-LEU
BOC-HPFH-LOV-ILE-HIS
BOC-HPFH-STA-LEU-PHE
BOC-PHE-HIS-AHS-LYS-PHE
BOC-PHE-HIS-CAL-LYS
BPN Paranitrobenzyl Alcohol
BRS 2-[1-(4-Chloro-Phenyl)-Ethyl]-4,6-Dinitr...
BSB N-Benzyl-4-Sulfamoyl-Benzamide
BT1 {2-[4-(2-Pyrrolidin-1-Yl-Ethoxy)-Phenyl...
BT2 3-[4-(2-Pyrrolidin-1-Yl-Ethoxy)-Benzyl]...
BT3 3-[4-(2-Pyrrolidin-1-Yl-Ethoxy)-Benzyl]...
BTN Biotin
BZO Brinzolamide
BZS L-Benzylsuccinate
BZT 3-(3-Bromo-4-Pyrrolidin-1-Ylmethyl-Benzy...
C60 Cgp38'560
CAM Camphor
CB3 10-Propargyl-5,8-Dideazafolic Acid
CBZ-ALA-ALA-PLE-OPH
CBZ-PGL-LEU-LEU
CBZ-PGL-OLE-LEU
CBZ-PPH-LEU-ALA
CBZ-VAL-COR-VAL-CBZ
CCR [N-[N-(4-Methoxy-2,3,6-Trimethylphenylsu...
CEL 4-[5-(4-Methylphenyl)-3-(Trifluoromethyl...
CIT Citric Acid
CLM Chloramphenicol
CLT-LEU-TRP
CMC Carboxymethyl Coenzyme *A
CMP Cyclic Amp
CPD Cloramphenicol Phosphonate Derivative ...
CPM [L-(-)-2-Carboxy-3-Phenylpropyl]Methyl-S...
DAN 2-Deoxy-2,3-Dehydro-N-Acetyl-Neuraminic...
DBA-PHM-PPL-SPY
DGX Digoxin
DHB 3,4-Dihydroxybenzoic Acid
DHZ 3,4-Dihydrozebularine
DNQ 6,7-Dinitroquinoxaline-2,3-Dione
DPC Dihydropyan-Phenethylpropyl-Carboxamide ...
DPZ 3,5-Diaminophthalhydrazide
DQU 2,6-Diamino-2,4a-Dihydro-3h-Quinazolin-4...
DTT 2,3-Dihydroxy-1,4-Dithiobutane
E3G Estrone Beta-D-Glucuronide
EBP Diethyl 4-Methylbenzylphosphonate
EG1 Aminomethylenecarbonylaminodi(Ethyloxy)E...
EG2 Aminodi(Ethyloxy)Ethylaminocarbonylbenze...
EG3 Phenylalanylaminodi(Ethyloxy)Ethylaminoc...
EOT 1-(-N'-(2-Hrdroxyethyl)-Thioureido)
ESI 4-Iodobenzo[B]Thiophene-2-Carboxamidine ...
ESP Thieno[2,3-B]Pyridine-2-Carboxamidine ...
ESX Benzo[B]Thiophene-2-Carboxamidine
ETS (4s-Trans)-4-(Ethylamino)-5,6-Dihydro-6...
F2B N-(2,3-Diflouro-Benzyl)-4-Sulfamoyl-Benz...
F6B N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benz...
FBA 4-Fluorobenzylamine
FBP Fructose-1,6-Disphosphate
FCA Alpha-D-Fucose
FD1 N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidin...
FD2 N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino...
FD3 N-Alpha-(2-Naphthylsulfonyl)-3-Amidino-L...
FD4 N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino...
FDI 4-(N-Acetylamino)-3-[N-(2-Ethylbutanoyla...
FDS Fluorescein (Dianion)
FFB N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfa...
FIP 5-Fluoroindole Propanol Phosphate
FK5 Ascomycin
FMN Flavin Mononucleotide
FMS Trifluoromethane Sulphonamide
FOL Folate
FRA Bicyclo[2.2.2]Octene Derivative
FSB N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamid...
FSC Fusicoccin
FVF O-(((1r)-((N-(Phenylmethoxycarbonyl)-L...
G1P Alpha-D-Glucose-1-Phosphate
G20 4-Acetyl-4-Guanidino-6-Methyl(Propyl)Car...
G23 Gr123976 (See Remark 5)
G28 5-N-Acetyl-4-Amino-6-Diethylcarboxamide...
G3P 3-Phosphoglycerol
GAL-MAN-ABE
GAN Sb203238 Which Is2-[3-Benzyl-5-(1-Alanyl...
GAS N-(P-Cyanophenyl)-N'-Diphenylmethyl-Guan...
GLA Alpha D-Galactose
GLC-GLC
GLN-SER-TYR-TPO-VAL
GLT 5-Thio-Alpha-D-Glucose
GNA 2,4-Deoxy-4-Guanidino-5-N-Acetyl-Neurami...
GNP Guanosine-5'-(Beta,Gamma-Imido) Triphosp...
GPG Guanylyl-2(Prime),5(Prime)-Guanosine
GTP Guanosine-5'-Triphosphate
GTT Glutathione
GUN Guanine
GW3 1,3-Diamino-7-(1-Ethyepropye)-7h-Pyrralo...
HAA 2-(3,4-Dihydroxyphenyl)Acetic Acid
HAB 2-((4'-Hydroxyphenyl)-Azo)Benzoate
HE1 4-(2-Hydroxyphenylthio)-1-Butenylphospho...
HE1 4-(2-Hydroxyphenylthio)-1-Butenylphospho...
HEM Protoporphyrin Ix Containing Fe
HF1 4-(2-Hydroxy-4-Fluorophenylthio)-Butylph...
HQO 2-Heptyl-4-Hydroxy Quinoline N-Oxide
HSF 1-Hexadecylsulfonyl Fluoride
HSP 4-(2-Hydroxyphenylsulfinyl)-Butylphospho...
I84 [2,6-Dimethyl-4-(2-O-Tolyl-Acetylamino)...
ICL (1-(5-Chloro-4-Oxo-4h-3,1-Benzoxazine-2...
ICT Isocitric Acid
INA See Ftnote 2
INC Ch2co(N-Oh)Leu-Och3
INL 6-[N-(3-Methoxy-Phenyl)-3-(Morpholin-4-Y...
INM 4-Amino-6-[N-(3-Methoxylpropyl)-2h-Thien...
INQ 6-[N-(3-Hydroxy-Phenyl)-3-(Morpholin-4-Y...
INV 4-(Aminosulfonyl)-N-[(4-Fluorophenyl)Met...
INW 4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl...
IOA 4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl...
IOC 4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophe...
IOE 4-(Aminosulfonyl)-N-[(2,4,6-Trifluorophe...
IOF 4-(Aminosulfonyl)-N-[(3,4,5-Trifluorophe...
IPH Phenol
IQB N-[2-(4-Bromocinnamylamino)Ethyl]-5-Isoq...
IQP 1-(5-Isoquinolinesulfonyl)-2-Methylpiper...
IQS N-[2-(Methylamino)Ethyl]-5-Isoquinolines...
IVA-HPFH-CHS-LEU-PHE
IVA-VAL-VAL-DFI-NME
IVA-VAL-VAL-DFO-NME
IVA-VAL-VAL-LTA
IVA-VAL-VAL-PLE-OPH
IVA-VAL-VAL-PTA-OET
IVA-VAL-VAL-STA-ALA-STA
IVA-VAL-VAL-STA-ALA-STA
IVA-VAL-VAL-STA-OET
KMB 2-Amino-6-Aminomethyl-8-Phenylsulfanylme...
LDP L-Dopamine
LDT Lidorestat
LNO L-Leucyl-Hydroxylamine
LOF L-Phenyl Lactate
LYS-ALC-LYS
LYS-ALN-LYS
LYS-DAB-LYS
LYS-DPP-LYS
LYS-HPE-LYS
LYS-NLE-LYS
LYS-NVA-LYS
LYS-ORN-LYS
MAL Maltose
MAN-MAN-NAG-MAN-MAN-MAN-MAN
MAQ 2-Amino-8-Methylquinazolin-4(3h)-One
MAS-PHE-LYS-STA-MBA-MTF
MGL O1-Methyl-Glucose
MGS 1,2-O-Dimethyl-4-[2,4-Dihydroxy-Butyrami...
MGU 2-O-[2-O-Methyl-4-[2,4-Dihydroxy-Butyram...
MID Napap - See Remark 13
MIT Md-805 (Mitsubishi Inhibitor)
MNP 2-(3-Nitrophenyl)Acetic Acid
MOR-PHE-NLE-CFS-NME
MOR-PHE-NLE-CHF-NME
MP3 3-Phosphoglyceric Acid
MTS (4s-Trans)-4-(Methylamino)-5,6-Dihydro-6...
MTX Methotrexate
MYT Metyrapone
MZM 5-Acetylamino-4-Methyl-1,3,4-Thiadozolin...
NAD Nicotinamide-Adenine-Dinucleotide
NAG-NAG-NAG
NAP Nadp Nicotinamide-Adenine-Dinucleotide...
NCH P-Nitrophenyl-Phosphocholine
NCM Norcamphor
NDP Nadph Dihydro-Nicotinamide-Adenine-Dinuc...
NHP 4-(2-Aminophenylthio)-Butylphosphonic Ac...
NIC Nitroisocitrate
NID 4-Nitro-Inden-1-One
NOJ 1-Deoxynojirimycin
NP 4-Hydroxy-3-Nitrophenylacetyl-Epsilon-Am...
NPE 5-(Para-Nitrophenyl Phosphonate)-Pentano...
NPO P-Nitrophenol
NPY-NPD-GLU-STA-LEU-TRJ
NTC Nitrocitrate
OAI 6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic...
OBA 2-(Oxalyl-Amino)-Benzoic Acid
OMD 2-(3,6-Dihydroxyphenyl)Acetic Acid
OXM Oxamic Acid
PAC 2-Phenylacetic Acid
PAH Phosphonoacetohydroxamate
PAL N-(Phosphonacetyl)-L-Aspartate
PBN 4-Phenylbutylamine
PC Phosphocholine
PDE Para-Nitrophenyl Phosphonobutanoyl D-Ala...
PEA 2-Phenylethylamine
PGG Para-Nitrophenylphosphonobutanoyl-Glycin...
PGH Phosphoglycolohydroxamic Acid
PHB P-Hydroxybenzoic Acid
PHH 4,5,6,7-Tetrachloro-Phthalide
PHO-LEU-NH2
PIM 4-Phenyl-1h-Imidazole
PLH Methylamino-Phenylalanyl-Leucyl-Hydroxam...
PLM Palmitic Acid
PLU Leucine Phosphonic Acid
PMP 4'-Deoxy-4'-Aminopyridoxal-5'-Phosphate ...
PMS-RON-GLY-3GA
PMS-RON-GLY-ARG
PNA 4'-Nitrophenyl-Alpha-D-Mannopyranside ...
PNF 6-{4-[Hydroxy-(4-Nitro-Phenoxy)-Phosphor...
PNP Para-Nitrophenyl-Methyl-Phosphorous Acid...
PP7 Methyl Cyclo[(2s)-2-[[(1r)-1-(N-(L-N-(3...
PP8 2-[(1r)-1-(N-(3-Methylbutanoyl)-L-Valyl...
PR1 4-Hydroxy-3-[2-Oxo-3-(Thieno[3,2-B]Pyrid...
PR2 Thieno[3,2-B]Pyridine-2-Sulfonic Acid [2...
PRA 3-Phenylpropylamine
PRL Proflavin
PTP Thymidine Inhibitor
PTP Deoxythymidine-3',5'-Bisphosphate
PTS (4s-Trans)-4-Amino-5,6-Dihydro-6-Methyl...
PYQ Pyroquilon
QND-VAL-HPB-PPL-PY2
RA2 1-[4-Carboxy-2-(3-Pentylamino)Phenyl]-5,...
RAI 1-(4-Carboxy-2-Guanidinopentyl)-5,5'-Di(...
RAM-GAL-MAN-ABE
RAP Rapamycin Immunosuppressant Drug
RHA-LEU-TRP
RNG-BCY-LYS-OHO
RPR 3-[(3'-Aminomethyl-Biphenyl-4-Carbonyl)...
RRS N-Hydroxy-5-Methyl-3-(9-Oxo-1,8-Diaza-Tr...
RSS 5-Methyl-3-(9-Oxo-1,8-Diaza-Tricyclo[10....
RTL Retinol
RUB Ribulose-1,5-Diphosphate
RVLFEA-NLE-NH2
S57 Sch 38057 - See Remark 9
S5H 5-Alpha-Pregnane-3-Beta-Ol-Hemisuccinat ...
SAA (S)-Atrolactic Acid
SB1 (21s)-1-Aza-4,4-Dimethyl-6,19-Dioxa-2,3,...
SB3 (1r)-1,3-Diphenyl-1-Propyl (2s)-1-(3,3-D...
SBS (S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-S...
SEO-SEO
SG1 3-Nitro-4-(2-Oxo-Pyrrolidin-1-Yl)-Benzen...
SG2 1-Methyl-3-Oxo-1,3-Dihydro-Benzo[C]Isoth...
SIA O-Sialic Acid
SIH Progesterone-11-Alpha-Ol-Hemisuccinate ...
SLE-TYR-CH3
SMS Sulfamic Acid 2,3-O-(1-Methylethylidene)...
SOR D-Sorbitol
SOT-PHE-GSC-GCL
SPA Thiopheneacetic Acid
SPB 4-(4-Styryl-Phenylcarbamoyl)-Butyric Aci...
SRS 4-Methyl-3-(9-Oxo-1,8-Diaza-Tricyclo[10....
ST1 4-(Acetylamino)-3-Hydroxy-5-Nitro Benzoi...
STG Estriol 3-(B-D-Glucuronide)
STR Progesterone
T33 3-3'-Diiodo-L-Thyronine
TAA [4-(2,2,2-Trifluoro-Acetylamino)-Benzyl]...
TAD Beta-Methylene Thiazole-4-Carboxamide Ad...
TAR Tartaric Acid
TFA-LEU-ALA-ANI
TFA-LEU-MBH-ISO
TFA-LYS-PHE-ISO
TFA-LYS-PRO-ISO
THA Tacrine
THC-KDTNNNL-CYF
TI1 [2(R,S)-2-Sulfanylheptanoyl]-Phe-Ala
TI2 (2-Sulfanyl-3-Phenylpropanoyl)-Phe-Tyr ...
TI3 [(2s)-2-Sulfanyl-3-Phenylpropanoyl]-Gly...
TK4 2-Acetylamino-Napthalene-1,5-Disulfonic...
TOL Tolrestat
TOS-APM-PIP
TOS-PAP-PIP
TPA Trans-2-Phenylcyclopropylamine
TPS N-(2-Thienylmethyl)-2,5-Thiophenedisulfo...
TRA Aconitate Ion
TRC Tricarballylic Acid
TRM-SMC-PCE-EMR
TYA Tyrosinyl Adenylate
VAC N,N-Bis-(2(R)-Hydroxy-1(S)-Indanyl-2,6-(...
VSQN-LOV-ILE-VAL
XLS D-Xylose
XYL D-Xylitol
ZAF O-[[(1r)-[[N-Phenylmethoxycarbonyl)-L-Al...
ZEB Zebularine
ZEN [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Pip...
Molecule Weight
range:
-
Dalton
Author name
(use * as wildcard, eg. Gold*)
Year
exact:
range:
-
Primary Literature
AffinDB 1, © Peter Block, Christoph Sotriffer, Gerhard Klebe 2002-2012
