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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01079029

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.74
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.77
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.77
URSN-PHENYLTHIOUREAA,B1BUG0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.78
1MRN-METHYLANILINEX2OTZ0.85
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.74
OSPSULTHIAMEA2Q1Q0.75
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.71
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
SANSULFANILAMIDEA1AJ00.75
264(phenylamino)acetonitrileA2RBN0.81
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.7
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.74
BSU1,3-DIPHENYLUREAA3E850.73
BSU1,3-DIPHENYLUREAA2ZJF0.73
PL01-phenylguanidineA2O8W0.74
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.77
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.93
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.72
NYLN-ALLYL-ANILINEA1OVK0.84
1AN2-FLUOROANILINEA1LGW0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.78
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72