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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00545694

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.73
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.73
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.73
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.73
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.77
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.73
BMSA,B1DKF0.75
NIONICOTINIC ACIDA1JHQ0.74
NIONICOTINIC ACIDA1L5L0.74
NIONICOTINIC ACIDA2F7F0.74
NIONICOTINIC ACIDA1L5K0.74
NIONICOTINIC ACIDA1JHY0.74
NIONICOTINIC ACIDA,B1FSL0.74
NIONICOTINIC ACIDA1L5M0.74
NIONICOTINIC ACIDA1LH60.74
NIONICOTINIC ACIDA1JHO0.74
NIONICOTINIC ACIDA3CI80.74
NIONICOTINIC ACIDA,B,C,D1ICU0.74
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.74
NIONICOTINIC ACIDA1JHA0.74
NIONICOTINIC ACIDA1JHV0.74
NIONICOTINIC ACIDA1L4N0.74
NIONICOTINIC ACIDA2LH60.74
NIONICOTINIC ACIDA1D0V0.74
NIONICOTINIC ACIDA,B,C,D1ICV0.74
NIONICOTINIC ACIDA,B1ICR0.74
NIONICOTINIC ACIDA1JHR0.74
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH40.73
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH90.73
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.75
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.71
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.71
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.71
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.71
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.73
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.72
APT2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-
METHYL]-4-HYDROXY-PTERIDIN-1-IUM		A,B1QCJ0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.74
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.75
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.76
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.81
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.81
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.81
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.72
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.72
PT1PTEROIC ACIDA,B1TX00.72
PT1PTEROIC ACIDA1BR60.72
PT1PTEROIC ACIDA,B1HWP0.72
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.72
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.71
PD8PHOSPHORYLATED DIHYDROPTEROATEA1W780.73
R55N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH80.71
BLP(5-HYDROXY-6-METHYL-4-((2-(2-(2-
NITROBENZAMIDO)ACETYL)HYDRAZINYL)METHYL)PYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2GQN0.72
R96N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH70.71
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.72
NTMQUINOLINIC ACIDA3C2O0.73
NTMQUINOLINIC ACIDA,B1QAP0.73
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.73
NTMQUINOLINIC ACIDA,B,C2B7N0.73
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.76
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A,B1E510.73
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A1OHL0.73
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.7
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.7
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.72
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.71
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.71
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.71
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.74
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.71
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.71
24XH,L2EC90.72
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.74
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.72
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.72
R94N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-
1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-
3-YL)ISONICOTINAMIDE		A1XH60.72
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.74
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.73
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.73
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.75
R68N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-
2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-
3-YL}ISONICOTINAMIDE		A1XHA0.7
R68N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-
2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-
3-YL}ISONICOTINAMIDE		A,B1XH50.7
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.71
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.71
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide		A3DKO0.7
4PPC,L1XKA0.75
4PPA,B,C,D1XKB0.75
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.71
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.74
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.7