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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02662990

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.84
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
OSPSULTHIAMEA2Q1Q0.7
NBENITROSOBENZENEA1LH70.76
NBENITROSOBENZENEA2LH70.76
NBENITROSOBENZENEA2NSS0.76
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
1MRN-METHYLANILINEX2OTZ0.75
34A3,4-DIMETHYLANILINEA1L4K0.73
SANSULFANILAMIDEA1AJ00.85
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.72
PRY2-PROPYL-ANILINEA1OWY0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.75
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
5AN3,5-DIFLUOROANILINEA1LGX0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.85
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.78
1AN2-FLUOROANILINEA1LGW0.79
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.74
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.74
NBZNITROBENZENEA,B2BMQ0.74
NBZNITROBENZENEA,B3BGU0.74
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.72
PHZ1-PHENYLHYDRAZINEA2E2T0.76
PHZ1-PHENYLHYDRAZINED,H2AGL0.76
URSN-PHENYLTHIOUREAA,B1BUG0.71
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.85
ANLANILINEA2OV40.82
ANLANILINEA1AEE0.82
ANLANILINEA1PPA0.82
ANLANILINEA1HJ90.82
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.78
NYLN-ALLYL-ANILINEA1OVK0.72
NIT4-NITROANILINEC,D1RMH0.75
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.75
NIT4-NITROANILINEB1VBS0.75
NIT4-NITROANILINEC1V9T0.75
NIT4-NITROANILINEC,D1VBT0.75
NIT4-NITROANILINEB1LOP0.75
NIT4-NITROANILINEC,D1ZKF0.75
NIT4-NITROANILINEB1PIP0.75