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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00057528

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.71
MTBA,B1SRF0.78
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.74
DMBA,B1SRI0.78
9AR9-HYDROXY ARISTOLOCHIC ACIDA,B1FV00.71
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.72
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.7
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.71
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.78
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.99
HABA,B1SRE0.77
MNX1,8-DI-HYDROXY-4-NITRO-XANTHEN-
9-ONE
A1M2Q0.78
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.72
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.72
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.7
7973-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-
6-OL
A,B1U3S0.71
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.86
MIY(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-
3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-
1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-
2-CARBOXAMIDE
A2DRD0.71
MIX1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-
9,10-ANTHRACENEDIONE
A,B,C,D2FUM0.75
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.71
NABA,B1SRJ0.82
4NB4-NITROBENZOIC ACIDA,B3CHT0.7
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.71
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.75
MHBA,B1SRG0.78
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.71