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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015503

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
3NT3-NITROTOLUENEA,B2BMR0.84
3NT3-NITROTOLUENEA,B2HMO0.84
NBENITROSOBENZENEA1LH70.87
NBENITROSOBENZENEA2LH70.87
NBENITROSOBENZENEA2NSS0.87
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
PHZ1-PHENYLHYDRAZINEA2E2T0.78
PHZ1-PHENYLHYDRAZINED,H2AGL0.78
1MRN-METHYLANILINEX2OTZ0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.79
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.78
264(phenylamino)acetonitrileA2RBN0.71
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
SANSULFANILAMIDEA1AJ00.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.84
PNZP-NITRO-BENZYLAMINEA,B2C700.84
PRY2-PROPYL-ANILINEA1OWY0.73
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.71
ANLANILINEA2OV40.84
ANLANILINEA1AEE0.84
ANLANILINEA1PPA0.84
ANLANILINEA1HJ90.84
NYLN-ALLYL-ANILINEA1OVK0.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.91
NBZNITROBENZENEA,B2BMQ0.94
NBZNITROBENZENEA,B3BGU0.94
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.85
NIT4-NITROANILINEC,D1RMH1
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP1
NIT4-NITROANILINEB1VBS1
NIT4-NITROANILINEC1V9T1
NIT4-NITROANILINEC,D1VBT1
NIT4-NITROANILINEB1LOP1
NIT4-NITROANILINEC,D1ZKF1
NIT4-NITROANILINEB1PIP1
URSN-PHENYLTHIOUREAA,B1BUG0.71
1AN2-FLUOROANILINEA1LGW0.81
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.85
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
NINDINITROPHENYLENEA1RSM0.9
NINDINITROPHENYLENEA1GVY0.9
NINDINITROPHENYLENEA1GW10.9
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.75
PL01-phenylguanidineA2O8W0.7
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
34A3,4-DIMETHYLANILINEA1L4K0.71
5AN3,5-DIFLUOROANILINEA1LGX0.79
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.8
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.76
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.92