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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02553122

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NYLN-ALLYL-ANILINEA1OVK0.9
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.7
1AN2-FLUOROANILINEA1LGW0.77
5AN3,5-DIFLUOROANILINEA1LGX0.75
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.7
URSN-PHENYLTHIOUREAA,B1BUG0.77
1MRN-METHYLANILINEX2OTZ0.85
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.76
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.71
A8BA1ODC0.75
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.7
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.76
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.72
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
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
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.74
PL01-phenylguanidineA2O8W0.76
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
OSPSULTHIAMEA2Q1Q0.74
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.79
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.79
264(phenylamino)acetonitrileA2RBN0.89
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
ZLDN-{[(5S)-3-(3-fluoro-4-morpholin-
4-ylphenyl)-2-oxo-1,3-oxazolidin-
5-yl]methyl}acetamide
0,1,2,4,9,A,
B,C,F,H,I,J,
K,L,M,N,P,Q,
R,S,T,X,Y,Z
3CPW0.73
ZLDN-{[(5S)-3-(3-fluoro-4-morpholin-
4-ylphenyl)-2-oxo-1,3-oxazolidin-
5-yl]methyl}acetamide
4,M,X,Y,Z3DLL0.73
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPR0.72
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A,B2OPS0.72
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPP0.72
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPQ0.72
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.77
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.79
BSU1,3-DIPHENYLUREAA3E850.77
BSU1,3-DIPHENYLUREAA2ZJF0.77
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.76
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.76
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76
IDMINDOLINEA,B3CEP0.77
IDMINDOLINEA1AEK0.77