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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02406969

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.8
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.78
NIT4-NITROANILINEC,D1RMH0.71
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.71
NIT4-NITROANILINEB1VBS0.71
NIT4-NITROANILINEC1V9T0.71
NIT4-NITROANILINEC,D1VBT0.71
NIT4-NITROANILINEB1LOP0.71
NIT4-NITROANILINEC,D1ZKF0.71
NIT4-NITROANILINEB1PIP0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.76
NINDINITROPHENYLENEA1RSM0.72
NINDINITROPHENYLENEA1GVY0.72
NINDINITROPHENYLENEA1GW10.72
NID4-NITRO-INDEN-1-ONEA,B1DOH0.75
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.73
34A3,4-DIMETHYLANILINEA1L4K0.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.73
3NT3-NITROTOLUENEA,B2BMR0.82
3NT3-NITROTOLUENEA,B2HMO0.82
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.71
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.7
NBZNITROBENZENEA,B2BMQ0.74
NBZNITROBENZENEA,B3BGU0.74
AAHH1KEL0.74
AAHB,H1FL60.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.78
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.75