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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022317

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.84
3NT3-NITROTOLUENEA,B2HMO0.84
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.78
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.76
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.76
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
PRY2-PROPYL-ANILINEA1OWY0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.71
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.71
34A3,4-DIMETHYLANILINEA1L4K0.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.8
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.84
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
ISOPARA-ISOPROPYLANILINEA1BMA0.72
ISOPARA-ISOPROPYLANILINEA,B1ELC0.72
ISOPARA-ISOPROPYLANILINEA,B1ELB0.72
ISOPARA-ISOPROPYLANILINEA,B1ELA0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
NINDINITROPHENYLENEA1RSM0.74
NINDINITROPHENYLENEA1GVY0.74
NINDINITROPHENYLENEA1GW10.74
SOAISATOIC ANHYDRIDEA1BIO0.76
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.78
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.72
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.87
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.82
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.82
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.82
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.83
PNZP-NITRO-BENZYLAMINEA,B2C700.83
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
NCR2-NITRO-P-CRESOLA,B1AHV0.74
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.78
NPOP-NITROPHENOLA,B1Z440.71
NPOP-NITROPHENOLX2ZYW0.71
NPOP-NITROPHENOLH,L1YEK0.71
NPOP-NITROPHENOLA,C,E,G43CA0.71
NPOP-NITROPHENOLA1LS60.71
NPOP-NITROPHENOLX2ZVP0.71
NPOP-NITROPHENOLA,B2I100.71
NPOP-NITROPHENOLA1VAH0.71
NPOP-NITROPHENOLA,B3ETT0.71
NPOP-NITROPHENOLA,B2D200.71
NPOP-NITROPHENOLX2ZYV0.71
NIT4-NITROANILINEC,D1RMH0.74
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.74
NIT4-NITROANILINEB1VBS0.74
NIT4-NITROANILINEC1V9T0.74
NIT4-NITROANILINEC,D1VBT0.74
NIT4-NITROANILINEB1LOP0.74
NIT4-NITROANILINEC,D1ZKF0.74
NIT4-NITROANILINEB1PIP0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
NBZNITROBENZENEA,B2BMQ0.78
NBZNITROBENZENEA,B3BGU0.78
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74