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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01228479

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BSU1,3-DIPHENYLUREAA3E850.82
BSU1,3-DIPHENYLUREAA2ZJF0.82
URSN-PHENYLTHIOUREAA,B1BUG0.79
GNR2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-
2-YL)-N-HYDROXYACETAMIDE
A,B1S170.78
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.76
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.76
PL01-phenylguanidineA2O8W0.76
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.75
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.75
1MRN-METHYLANILINEX2OTZ0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.74
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.74
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.74
NYLN-ALLYL-ANILINEA1OVK0.73
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.73
ZMG(5R)-2-[(2-fluorophenyl)amino]-
5-(1-methylethyl)-1,3-thiazol-4(5H)-
one
A,B,C,D2RBE0.73
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.73
264(phenylamino)acetonitrileA2RBN0.72
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.71
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.71
SANSULFANILAMIDEA1AJ00.7
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.7
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.7