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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020127

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
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B3FHX0.7
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2DDW0.7
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9W0.7
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9X0.7
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B1TD20.7
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.76
L92(2S)-3-{4-[3-(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)PROPYL]PHENYL}-
2-(1H-PYRROL-1-YL)PROPANOIC ACID		A2Q8S0.72
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.71
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.74
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.74
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.74
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.74
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.74
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.74
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.73
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.72
PYCPYRROLE-2-CARBOXYLATEA1W620.73
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.73
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.73
PYCPYRROLE-2-CARBOXYLATEA,B1W610.73
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.73
NIONICOTINIC ACIDA1JHQ0.77
NIONICOTINIC ACIDA1L5L0.77
NIONICOTINIC ACIDA2F7F0.77
NIONICOTINIC ACIDA1L5K0.77
NIONICOTINIC ACIDA1JHY0.77
NIONICOTINIC ACIDA,B1FSL0.77
NIONICOTINIC ACIDA1L5M0.77
NIONICOTINIC ACIDA1LH60.77
NIONICOTINIC ACIDA1JHO0.77
NIONICOTINIC ACIDA3CI80.77
NIONICOTINIC ACIDA,B,C,D1ICU0.77
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.77
NIONICOTINIC ACIDA1JHA0.77
NIONICOTINIC ACIDA1JHV0.77
NIONICOTINIC ACIDA1L4N0.77
NIONICOTINIC ACIDA2LH60.77
NIONICOTINIC ACIDA1D0V0.77
NIONICOTINIC ACIDA,B,C,D1ICV0.77
NIONICOTINIC ACIDA,B1ICR0.77
NIONICOTINIC ACIDA1JHR0.77
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL		H,I1AIX0.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.74
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.74
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.74
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDU0.76
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.75
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N		A1AU40.7
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.74
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUK0.7
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.7
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A1C8L0.74
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A2AMV0.74
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A3AMV0.74
DPYA,B1JES0.74
MYTMETYRAPONEA1PHG0.73
MYTMETYRAPONEA1W0G0.73
PXA2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE		A209D0.73
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.81
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.81
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.81
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.81
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.73
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.73
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.73
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.73
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.73
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.73
QNDQUINALDIC ACIDA,B1IDA0.73
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.73
NTMQUINOLINIC ACIDA3C2O0.86
NTMQUINOLINIC ACIDA,B1QAP0.86
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.86
NTMQUINOLINIC ACIDA,B,C2B7N0.86
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.77
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.81
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.71
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.71
TITN-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-
3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-
L-VALYL]AMINO}PENTANOYL)-L-ALANYL-
L-LEUCINAMIDE		A,B1W6H0.72
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.74
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.81
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.81
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUJ0.71