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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02414216

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
627N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-
C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-
1-YL)BENZAMIDE		A,B2J500.73
627N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-
C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-
1-YL)BENZAMIDE		A,B2V7A0.73
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.71
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE		A,B,C,D1KBO0.7
EHA(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-
1H-INDOL-1-YL)ACETIC ACID		A2F4B0.73
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.77
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.78
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.78
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.78
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.78
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.78
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.78
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.78
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.78
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.78
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.78
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.78
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.78
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.78
BEJN,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-
GLUCARYL]-DI-[VALYL-AMIDO-METHANE]		B1EC20.7
L92(2S)-3-{4-[3-(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)PROPYL]PHENYL}-
2-(1H-PYRROL-1-YL)PROPANOIC ACID		A2Q8S0.73
225FELODIPINEA2NNJ0.72
3CS3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-
IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-
1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID		A,B,C,D,E,F2Q7R0.71
VRSVIRGINIAMYCIN S10,1,2,3,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		1YIT0.72
TITN-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-
3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-
L-VALYL]AMINO}PENTANOYL)-L-ALANYL-
L-LEUCINAMIDE		A,B1W6H0.71
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.7
587C32-O-(1-METHYL-INDOL-5-YL) 18-
HYDROXY-ASCOMYCIN		A,C1QPL0.71
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.71
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.71
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.71
AM72-benzyl-5-(3-fluoro-4-{[6-methoxy-
7-(3-morpholin-4-ylpropoxy)quinolin-
4-yl]oxy}phenyl)-3-methylpyrimidin-
4(3H)-one		A,B2RFN0.71
0011-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-
PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4-
PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-
BUTYL ESTER		A,B,D1J4R0.71
NTMQUINOLINIC ACIDA3C2O0.73
NTMQUINOLINIC ACIDA,B1QAP0.73
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.73
NTMQUINOLINIC ACIDA,B,C2B7N0.73
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.77
NNRNicotinamide ribosideA2QT00.73
NNRNicotinamide ribosideA2QT10.73
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID		A,D1RDT0.7
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID		A,D1FM90.7
858C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCINA,D1QPF0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A1C8L0.75
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A2AMV0.75
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A3AMV0.75
DRD2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-
NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-
YL)OXY]-2-METHYLPROPANOIC ACID		A2HWR0.72
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL		H,I1AIX0.75
DRY[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-
1H-INDOL-5-YL)OXY]ACETIC ACID		A2HWQ0.72
DPYA,B1JES0.73
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDU0.73
MS3N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-
[VALINYL-AMINOMETHANYL-PYRIDINE]		A1EC30.73
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QSZ0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1TA80.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1HYB0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAA0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA90.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUP0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUS0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1Y1P0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C,D,E,F2GVG0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA80.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAB0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZK0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C1GZU0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2H3D0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2G960.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QG60.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1ISJ0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZJ0.72
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2HCT0.72
BMSA,B1DKF0.71
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.7
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.74