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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03494779

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NIT4-NITROANILINEC,D1RMH0.91
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.91
NIT4-NITROANILINEB1VBS0.91
NIT4-NITROANILINEC1V9T0.91
NIT4-NITROANILINEC,D1VBT0.91
NIT4-NITROANILINEB1LOP0.91
NIT4-NITROANILINEC,D1ZKF0.91
NIT4-NITROANILINEB1PIP0.91
NBZNITROBENZENEA,B2BMQ0.85
NBZNITROBENZENEA,B3BGU0.85
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.84
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.83
NINDINITROPHENYLENEA1RSM0.82
NINDINITROPHENYLENEA1GVY0.82
NINDINITROPHENYLENEA1GW10.82
NBENITROSOBENZENEA1LH70.79
NBENITROSOBENZENEA2LH70.79
NBENITROSOBENZENEA2NSS0.79
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.79
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.79
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.79
PNZP-NITRO-BENZYLAMINEA,B2C700.79
3NT3-NITROTOLUENEA,B2BMR0.78
3NT3-NITROTOLUENEA,B2HMO0.78
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.76
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.75
1AN2-FLUOROANILINEA1LGW0.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
PRY2-PROPYL-ANILINEA1OWY0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
5AN3,5-DIFLUOROANILINEA1LGX0.72
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.72
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
1MRN-METHYLANILINEX2OTZ0.71
SANSULFANILAMIDEA1AJ00.7
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
34A3,4-DIMETHYLANILINEA1L4K0.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7