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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00063154

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID
A1B9I0.72
TRWTRW3-(2-AMINO-3-HYDROXY-PROPYL)-
6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-
INDOL-7-OL
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MG30.71
TRWTRW3-(2-AMINO-3-HYDROXY-PROPYL)-
6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-
INDOL-7-OL
A,B,C1PBY0.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G190.74
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G1M0.74
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYN0.71
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYK0.71
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A2QYL0.71
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.72
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID
A,B1PBQ0.73
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.7
0AF7-hydroxy-L-tryptophanL1MAE0.71
0AF7-hydroxy-L-tryptophanL1MAF0.71
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.73
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.7
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.76
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.79
QNDQUINALDIC ACIDA,B1IDA0.76
HQC3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-
AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
4-OXO-BUTYRI ACID
A1RWP0.73
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide
A,B,C,D3D3E0.71
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.72
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.8
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.72
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.72
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.72
3HI(3R,5R)-7-[2-(4-fluorophenyl)-4-
[(2-hydroxyphenyl)carbamoyl]-5-
(1-methylethyl)-3-phenyl-1H-pyrrol-
1-yl]-3,5-dihydroxyheptanoic acid
B,C,D3CCT0.7
238A2PRH0.72
BRFA1UUO0.76
P3FPHOSPHORIC ACID MONO-(5-HYDROXY-
6-METHYL-4-{[2-(2-TRIFLUOROMETHYL-
BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}-
PYRIDIN-3-YLMETHYL)ESTER
A,B2FQ60.74
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBT0.73
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBU0.73
BMSA,B1DKF0.71
I08(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-
6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-
VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE
A1SVH0.7
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
A,B2IOK0.71
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH40.71
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH90.71