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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00501749

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NYLN-ALLYL-ANILINEA1OVK0.8
OSPSULTHIAMEA2Q1Q0.78
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.78
264(phenylamino)acetonitrileA2RBN0.8
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.7
URSN-PHENYLTHIOUREAA,B1BUG0.72
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.71
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.79
5AN3,5-DIFLUOROANILINEA1LGX0.78
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.72
PRY2-PROPYL-ANILINEA1OWY0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.79
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.72
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
SANSULFANILAMIDEA1AJ00.76
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.7
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.73
1MRN-METHYLANILINEX2OTZ0.76
1AN2-FLUOROANILINEA1LGW0.8