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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02431079

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HFTHYDROXYFLUTAMIDEA2AX60.82
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.79
BSU1,3-DIPHENYLUREAA3E850.78
BSU1,3-DIPHENYLUREAA2ZJF0.78
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.76
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.75
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.73
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.73
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.72
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.71
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.71
RJ1N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamideA,B,C,D3DGA0.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.71
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.71