MMsINC Database Search
logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00940932

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.8
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.8
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.8
238A2PRH0.88
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.8
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.77
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.72
QNC2-CARBONYLQUINOLINEA,B1MTB0.74
QNC2-CARBONYLQUINOLINEA,B2FGV0.74
QNC2-CARBONYLQUINOLINEI1IVQ0.74
QNC2-CARBONYLQUINOLINEA,B2FGU0.74
QNC2-CARBONYLQUINOLINEA1JLD0.74
QNC2-CARBONYLQUINOLINEA,B1HXB0.74
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE		A,B1I300.72
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.75
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.75
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.75
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.75
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.75
PQQPYRROLOQUINOLINE QUINONEA1KV90.75
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.75
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.75
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.75
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.75
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.75
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.75
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.75
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.75
PQQPYRROLOQUINOLINE QUINONEA1KB00.75
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.75
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.75
PQQPYRROLOQUINOLINE QUINONEA,C1G720.75
BRFA1UUO0.93
615(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-
4-yl)methoxy]benzyl}cyclopropane-
1,2-dicarboxamide		A,B3E8R0.71
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID		A,B1PBQ0.73
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.72
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.72
BMSA,B1DKF0.77
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.75
MTKMONTELUKASTA2NNI0.74
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWJ0.74
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.78
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.72
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.72
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID		A,B1C3E0.74
24XH,L2EC90.7
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.74
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.81
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.81
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.81
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.79
TRO2-HYDROXY-TRYPTOPHANA1KB00.72
TRO2-HYDROXY-TRYPTOPHANA1G3P0.72
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.78
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.73
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID		A2AYW0.71
HR1(3R,5R)-7-[1-(4-FLUOROPHENYL)-3-
ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-
3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-
3,5-DIHYDROXYHEPTANOIC ACID		A,B,C,D2Q6C0.71
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.93
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.7
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.7
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.75
4PPC,L1XKA0.7
4PPA,B,C,D1XKB0.7
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.76
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C1KQG0.75
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,D,E,F2VR00.75
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,M,N,O,P1KF60.75
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMW0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3D1Y0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMY0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3CYX0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NNP0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		B1C6Z0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NNK0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A1FB70.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMZ0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3D1X0.7
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.76
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.77
HR2(3R,5R)-7-[3-(4-FLUOROPHENYL)-1-
ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-
HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-
YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,B,C,D2Q6B0.7
QNDQUINALDIC ACIDA,B1IDA0.86
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.72
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL		A1HBJ0.74
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate		A,B3EDZ0.73
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.79
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.73
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.7
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.78
225FELODIPINEA2NNJ0.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.72
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.71
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.71
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.75
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.75