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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01292220

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.77
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.77
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.71
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.77
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.73
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.78
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.78
OSPSULTHIAMEA2Q1Q0.72
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
PRY2-PROPYL-ANILINEA1OWY0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.77
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.78
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.77
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.77
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.72
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.81
1AN2-FLUOROANILINEA1LGW0.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.75
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.74
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.77
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
1MRN-METHYLANILINEX2OTZ0.9
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
URSN-PHENYLTHIOUREAA,B1BUG0.81
NYLN-ALLYL-ANILINEA1OVK0.92
IDMINDOLINEA,B3CEP0.78
IDMINDOLINEA1AEK0.78
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
5AN3,5-DIFLUOROANILINEA1LGX0.71
264(phenylamino)acetonitrileA2RBN0.91
PL01-phenylguanidineA2O8W0.78
BSU1,3-DIPHENYLUREAA3E850.77
BSU1,3-DIPHENYLUREAA2ZJF0.77
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.71