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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02176186

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
NYLN-ALLYL-ANILINEA1OVK0.8
SANSULFANILAMIDEA1AJ00.7
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.76
264(phenylamino)acetonitrileA2RBN0.83
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.76
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.7
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.71
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.76
PL01-phenylguanidineA2O8W0.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
PRY2-PROPYL-ANILINEA1OWY0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.73
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.73
URSN-PHENYLTHIOUREAA,B1BUG0.79
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
BSU1,3-DIPHENYLUREAA3E850.75
BSU1,3-DIPHENYLUREAA2ZJF0.75
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
ZMG(5R)-2-[(2-fluorophenyl)amino]-
5-(1-methylethyl)-1,3-thiazol-4(5H)-
one
A,B,C,D2RBE0.72
1AN2-FLUOROANILINEA1LGW0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
1MRN-METHYLANILINEX2OTZ0.81
34A3,4-DIMETHYLANILINEA1L4K0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.78
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.78
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72