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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03030741

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.74
TNBS-(2,3,6-TRINITROPHENYL)CYSTEINEA,B,C,D,E,F,
G,H
1AQX0.7
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.74
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
NIT4-NITROANILINEC,D1RMH0.81
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.81
NIT4-NITROANILINEB1VBS0.81
NIT4-NITROANILINEC1V9T0.81
NIT4-NITROANILINEC,D1VBT0.81
NIT4-NITROANILINEB1LOP0.81
NIT4-NITROANILINEC,D1ZKF0.81
NIT4-NITROANILINEB1PIP0.81
SANSULFANILAMIDEA1AJ00.73
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.92
PSGPARA-NITROPHENYL 1-THIO-BETA-D-
GLUCOPYRANOSIDE
A,B1E1F0.7
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.82
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.72
NBENITROSOBENZENEA1LH70.78
NBENITROSOBENZENEA2LH70.78
NBENITROSOBENZENEA2NSS0.78
NINDINITROPHENYLENEA1RSM0.81
NINDINITROPHENYLENEA1GVY0.81
NINDINITROPHENYLENEA1GW10.81
NBZNITROBENZENEA,B2BMQ0.84
NBZNITROBENZENEA,B3BGU0.84
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.76
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76