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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02213617

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.71
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.74
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
BRFA1UUO0.75
DTRD-TRYPTOPHANA,B,C,D2R3C0.7
DTRD-TRYPTOPHANA1XY80.7
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.7
DTRD-TRYPTOPHANA2V7K0.7
DTRD-TRYPTOPHANA,D1CZQ0.7
DTRD-TRYPTOPHANA1DFY0.7
DTRD-TRYPTOPHANA1XY50.7
DTRD-TRYPTOPHANA1NXN0.7
DTRD-TRYPTOPHANA1TKF0.7
DTRD-TRYPTOPHANA1YL90.7
DTRD-TRYPTOPHANA1XXZ0.7
DTRD-TRYPTOPHANA1XY40.7
DTRD-TRYPTOPHANA,D2Q3I0.7
DTRD-TRYPTOPHANA1QFB0.7
DTRD-TRYPTOPHANA1DFZ0.7
DTRD-TRYPTOPHANA1XY90.7
DTRD-TRYPTOPHANA1XY60.7
DTRD-TRYPTOPHANA2SOC0.7
DTRD-TRYPTOPHANA2JUE0.7
DTRD-TRYPTOPHANA1SOC0.7
DTRD-TRYPTOPHANA1YL80.7
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.7
DTRD-TRYPTOPHANA,B2Q330.7
DTRD-TRYPTOPHANA1DG00.7
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.7
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.71
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.72
NIXNALIDIXIC ACIDA,B2BQ20.71
PD8PHOSPHORYLATED DIHYDROPTEROATEA1W780.7
4PPC,L1XKA0.71
4PPA,B,C,D1XKB0.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.74
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.74
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.74
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.74
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.74
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.71
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A2JBO0.7
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A,B,C,D,E,F,
G,H,I,K,L		2JBP0.7
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.71
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.74
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.72
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.72
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.7
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE		A1FLS0.71
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE		A1FM10.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.72
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.72
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.75
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.72
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.72
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.77
NIONICOTINIC ACIDA1JHQ0.78
NIONICOTINIC ACIDA1L5L0.78
NIONICOTINIC ACIDA2F7F0.78
NIONICOTINIC ACIDA1L5K0.78
NIONICOTINIC ACIDA1JHY0.78
NIONICOTINIC ACIDA,B1FSL0.78
NIONICOTINIC ACIDA1L5M0.78
NIONICOTINIC ACIDA1LH60.78
NIONICOTINIC ACIDA1JHO0.78
NIONICOTINIC ACIDA3CI80.78
NIONICOTINIC ACIDA,B,C,D1ICU0.78
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.78
NIONICOTINIC ACIDA1JHA0.78
NIONICOTINIC ACIDA1JHV0.78
NIONICOTINIC ACIDA1L4N0.78
NIONICOTINIC ACIDA2LH60.78
NIONICOTINIC ACIDA1D0V0.78
NIONICOTINIC ACIDA,B,C,D1ICV0.78
NIONICOTINIC ACIDA,B1ICR0.78
NIONICOTINIC ACIDA1JHR0.78
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.72
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.72
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.84
QNC2-CARBONYLQUINOLINEA,B1MTB0.72
QNC2-CARBONYLQUINOLINEA,B2FGV0.72
QNC2-CARBONYLQUINOLINEI1IVQ0.72
QNC2-CARBONYLQUINOLINEA,B2FGU0.72
QNC2-CARBONYLQUINOLINEA1JLD0.72
QNC2-CARBONYLQUINOLINEA,B1HXB0.72
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.73
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.73
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.73
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.73
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.74
3IL3-(INDOL-3-YL) LACTATEA2A7P0.7
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.71
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE		A,B,C,D1WOK0.71
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWJ0.71
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.74
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.75
2SMmethyl 2-{[(4-methylpyrimidin-2-
yl)carbamoyl]sulfamoyl}benzoate		A3EA40.7
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.72
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.72
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.7
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.74
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDU0.75
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.75
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.74
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.74
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A1C8L0.73
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A2AMV0.73
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A3AMV0.73
238A2PRH0.72
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.72
MYTMETYRAPONEA1PHG0.72
MYTMETYRAPONEA1W0G0.72
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.73
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.72
IOPINDOLYLPROPIONIC ACIDA2OLI0.72
IOPINDOLYLPROPIONIC ACIDA,B2AY50.72
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.74
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.77
887N-cyclopropyl-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide		A,B3B8R0.7
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.72
NTMQUINOLINIC ACIDA3C2O0.78
NTMQUINOLINIC ACIDA,B1QAP0.78
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.78
NTMQUINOLINIC ACIDA,B,C2B7N0.78
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL		H,I1AIX0.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.7
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE		A328D0.72
QNDQUINALDIC ACIDA,B1IDA0.78
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.74
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.72
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.73
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.74
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.71
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.77
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.77
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.77
225FELODIPINEA2NNJ0.76
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.71
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.71
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.72
BMSA,B1DKF0.79