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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005103

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
5AN3,5-DIFLUOROANILINEA1LGX0.74
NIT4-NITROANILINEC,D1RMH0.71
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.71
NIT4-NITROANILINEB1VBS0.71
NIT4-NITROANILINEC1V9T0.71
NIT4-NITROANILINEC,D1VBT0.71
NIT4-NITROANILINEB1LOP0.71
NIT4-NITROANILINEC,D1ZKF0.71
NIT4-NITROANILINEB1PIP0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.78
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.78
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
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.72
PL01-phenylguanidineA2O8W0.79
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.7
XYD2,5-DIMETHYLANILINEA1L4L0.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.74
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.71
URSN-PHENYLTHIOUREAA,B1BUG0.89
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.7
PRY2-PROPYL-ANILINEA1OWY0.71
NYLN-ALLYL-ANILINEA1OVK0.85
ANLANILINEA2OV40.79
ANLANILINEA1AEE0.79
ANLANILINEA1PPA0.79
ANLANILINEA1HJ90.79
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
1MRN-METHYLANILINEX2OTZ0.83
SANSULFANILAMIDEA1AJ00.71
264(phenylamino)acetonitrileA2RBN0.89
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
1AN2-FLUOROANILINEA1LGW0.76
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.78
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.72
BSU1,3-DIPHENYLUREAA3E850.78
BSU1,3-DIPHENYLUREAA2ZJF0.78
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.77