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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011396

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.84
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.7
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.7
URSN-PHENYLTHIOUREAA,B1BUG0.77
NYLN-ALLYL-ANILINEA1OVK0.88
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.72
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.75
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.73
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.73
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
PL01-phenylguanidineA2O8W0.76
OSPSULTHIAMEA2Q1Q0.74
1AN2-FLUOROANILINEA1LGW0.73
CVICRYSTAL VIOLETA,B,D,E1JTX0.72
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
BSU1,3-DIPHENYLUREAA3E850.75
BSU1,3-DIPHENYLUREAA2ZJF0.75
264(phenylamino)acetonitrileA2RBN0.92
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.74
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.71
MGRMALACHITE GREENA,B3BQZ0.72
MGRMALACHITE GREENA1Q8N0.72
MGRMALACHITE GREENA,B3BR00.72
MGRMALACHITE GREENA,D,E3BTL0.72
MGRMALACHITE GREENA,B,D,E3BTC0.72
MGRMALACHITE GREENA,B,D,E1JUP0.72
5AN3,5-DIFLUOROANILINEA1LGX0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.75
NBENITROSOBENZENEA1LH70.74
NBENITROSOBENZENEA2LH70.74
NBENITROSOBENZENEA2NSS0.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76