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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018623

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NID4-NITRO-INDEN-1-ONEA,B1DOH0.78
ANCANTHRACEN-1-YLAMINEA,B1GT10.7
ANCANTHRACEN-1-YLAMINEA,B1HN20.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
TNL2,4,6-TRINITROTOLUENEA1GVR0.81
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.71
NIT4-NITROANILINEC,D1RMH0.76
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.76
NIT4-NITROANILINEB1VBS0.76
NIT4-NITROANILINEC1V9T0.76
NIT4-NITROANILINEC,D1VBT0.76
NIT4-NITROANILINEB1LOP0.76
NIT4-NITROANILINEC,D1ZKF0.76
NIT4-NITROANILINEB1PIP0.76
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
NBZNITROBENZENEA,B2BMQ0.8
NBZNITROBENZENEA,B3BGU0.8
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.84
PNZP-NITRO-BENZYLAMINEA,B2C700.84
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.84
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.77
ISOPARA-ISOPROPYLANILINEA,B1ELC0.77
ISOPARA-ISOPROPYLANILINEA,B1ELB0.77
ISOPARA-ISOPROPYLANILINEA,B1ELA0.77
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.72
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.77
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.78
PRY2-PROPYL-ANILINEA1OWY0.76
NINDINITROPHENYLENEA1RSM0.76
NINDINITROPHENYLENEA1GVY0.76
NINDINITROPHENYLENEA1GW10.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.7
9AP9-AMINOPHENANTHRENEA1EGY0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.72
3NT3-NITROTOLUENEA,B2BMR0.88
3NT3-NITROTOLUENEA,B2HMO0.88
NBENITROSOBENZENEA1LH70.74
NBENITROSOBENZENEA2LH70.74
NBENITROSOBENZENEA2NSS0.74
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72
34A3,4-DIMETHYLANILINEA1L4K0.81