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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020624

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.7
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.7
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.7
CLU2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINEA,B,D,E2PNC0.73
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
RJ1N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamideA,B,C,D3DGA0.74
264(phenylamino)acetonitrileA2RBN0.81
URSN-PHENYLTHIOUREAA,B1BUG0.75
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
C1M1-(4-CHLOROPHENYL)-2,3-DIHYDRO-
1H-TETRAZOLE
B,I2C900.75
PL01-phenylguanidineA2O8W0.74
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.8
NYLN-ALLYL-ANILINEA1OVK0.84
1AN2-FLUOROANILINEA1LGW0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.76
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.74
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.72
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.7
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.7
1MRN-METHYLANILINEX2OTZ0.88
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72