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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00046318

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.72
3IL3-(INDOL-3-YL) LACTATEA2A7P0.71
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWJ0.7
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.7
2SMmethyl 2-{[(4-methylpyrimidin-2-
yl)carbamoyl]sulfamoyl}benzoate		A3EA40.71
QNC2-CARBONYLQUINOLINEA,B1MTB0.73
QNC2-CARBONYLQUINOLINEA,B2FGV0.73
QNC2-CARBONYLQUINOLINEI1IVQ0.73
QNC2-CARBONYLQUINOLINEA,B2FGU0.73
QNC2-CARBONYLQUINOLINEA1JLD0.73
QNC2-CARBONYLQUINOLINEA,B1HXB0.73
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.71
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID		A2AYW0.7
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.75
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.75
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.75
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.75
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.7
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.7
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.7
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.72
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.7
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.71
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.71
NIONICOTINIC ACIDA1JHQ0.75
NIONICOTINIC ACIDA1L5L0.75
NIONICOTINIC ACIDA2F7F0.75
NIONICOTINIC ACIDA1L5K0.75
NIONICOTINIC ACIDA1JHY0.75
NIONICOTINIC ACIDA,B1FSL0.75
NIONICOTINIC ACIDA1L5M0.75
NIONICOTINIC ACIDA1LH60.75
NIONICOTINIC ACIDA1JHO0.75
NIONICOTINIC ACIDA3CI80.75
NIONICOTINIC ACIDA,B,C,D1ICU0.75
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.75
NIONICOTINIC ACIDA1JHA0.75
NIONICOTINIC ACIDA1JHV0.75
NIONICOTINIC ACIDA1L4N0.75
NIONICOTINIC ACIDA2LH60.75
NIONICOTINIC ACIDA1D0V0.75
NIONICOTINIC ACIDA,B,C,D1ICV0.75
NIONICOTINIC ACIDA,B1ICR0.75
NIONICOTINIC ACIDA1JHR0.75
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.71
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.71
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.73
225FELODIPINEA2NNJ0.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.73
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.71
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.71
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.72
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.73
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.7
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.7
QNDQUINALDIC ACIDA,B1IDA0.79
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.75
887N-cyclopropyl-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide		A,B3B8R0.71
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.7
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.76
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.71
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE		A328D0.71
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.71
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.71
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.72
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.74
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.72
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.73
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.71
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
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUJ0.7
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.71
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.72
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.75
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.74
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.74
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.72
NTMQUINOLINIC ACIDA3C2O0.75
NTMQUINOLINIC ACIDA,B1QAP0.75
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.75
NTMQUINOLINIC ACIDA,B,C2B7N0.75
DTRD-TRYPTOPHANA,B,C,D2R3C0.71
DTRD-TRYPTOPHANA1XY80.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.71
DTRD-TRYPTOPHANA2V7K0.71
DTRD-TRYPTOPHANA,D1CZQ0.71
DTRD-TRYPTOPHANA1DFY0.71
DTRD-TRYPTOPHANA1XY50.71
DTRD-TRYPTOPHANA1NXN0.71
DTRD-TRYPTOPHANA1TKF0.71
DTRD-TRYPTOPHANA1YL90.71
DTRD-TRYPTOPHANA1XXZ0.71
DTRD-TRYPTOPHANA1XY40.71
DTRD-TRYPTOPHANA,D2Q3I0.71
DTRD-TRYPTOPHANA1QFB0.71
DTRD-TRYPTOPHANA1DFZ0.71
DTRD-TRYPTOPHANA1XY90.71
DTRD-TRYPTOPHANA1XY60.71
DTRD-TRYPTOPHANA2SOC0.71
DTRD-TRYPTOPHANA2JUE0.71
DTRD-TRYPTOPHANA1SOC0.71
DTRD-TRYPTOPHANA1YL80.71
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
DTRD-TRYPTOPHANA,B2Q330.71
DTRD-TRYPTOPHANA1DG00.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.71
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.73
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.73
BMSA,B1DKF0.82
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.72
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.72
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL		H,I1AIX0.73
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.72
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
BRFA1UUO0.76
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.75
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.72
IOPINDOLYLPROPIONIC ACIDA2OLI0.72
IOPINDOLYLPROPIONIC ACIDA,B2AY50.72
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.71
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDU0.72
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.72
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.71
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.82
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.74
EHA(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-
1H-INDOL-1-YL)ACETIC ACID		A2F4B0.71
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
4PPC,L1XKA0.73
4PPA,B,C,D1XKB0.73
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.71