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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00770759

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1AN2-FLUOROANILINEA1LGW0.72
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.77
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.74
NBZNITROBENZENEA,B2BMQ0.9
NBZNITROBENZENEA,B3BGU0.9
5AN3,5-DIFLUOROANILINEA1LGX0.7
ANLANILINEA2OV40.75
ANLANILINEA1AEE0.75
ANLANILINEA1PPA0.75
ANLANILINEA1HJ90.75
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.82
NINDINITROPHENYLENEA1RSM0.87
NINDINITROPHENYLENEA1GVY0.87
NINDINITROPHENYLENEA1GW10.87
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.77
BSU1,3-DIPHENYLUREAA3E850.7
BSU1,3-DIPHENYLUREAA2ZJF0.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.77
3NT3-NITROTOLUENEA,B2BMR0.81
3NT3-NITROTOLUENEA,B2HMO0.81
NBENITROSOBENZENEA1LH70.84
NBENITROSOBENZENEA2LH70.84
NBENITROSOBENZENEA2NSS0.84
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.88
NIT4-NITROANILINEC,D1RMH0.89
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.89
NIT4-NITROANILINEB1VBS0.89
NIT4-NITROANILINEC1V9T0.89
NIT4-NITROANILINEC,D1VBT0.89
NIT4-NITROANILINEB1LOP0.89
NIT4-NITROANILINEC,D1ZKF0.89
NIT4-NITROANILINEB1PIP0.89
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.8
PNZP-NITRO-BENZYLAMINEA,B2C700.8