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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011240

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
3NT3-NITROTOLUENEA,B2BMR0.93
3NT3-NITROTOLUENEA,B2HMO0.93
NINDINITROPHENYLENEA1RSM0.78
NINDINITROPHENYLENEA1GVY0.78
NINDINITROPHENYLENEA1GW10.78
NBZNITROBENZENEA,B2BMQ0.83
NBZNITROBENZENEA,B3BGU0.83
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.79
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.86
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.74
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.74
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.71
NID4-NITRO-INDEN-1-ONEA,B1DOH0.77
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.77
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.74
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.74
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
34A3,4-DIMETHYLANILINEA1L4K0.86
9AP9-AMINOPHENANTHRENEA1EGY0.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.72
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.86
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.71
PBZP-AMINO BENZAMIDINEA1RFN0.71
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.71
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.71
PBZP-AMINO BENZAMIDINEA1FIZ0.71
PBZP-AMINO BENZAMIDINEA1FIW0.71
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.82
ISOPARA-ISOPROPYLANILINEA,B1ELC0.82
ISOPARA-ISOPROPYLANILINEA,B1ELB0.82
ISOPARA-ISOPROPYLANILINEA,B1ELA0.82
NIT4-NITROANILINEC,D1RMH0.78
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.78
NIT4-NITROANILINEB1VBS0.78
NIT4-NITROANILINEC1V9T0.78
NIT4-NITROANILINEC,D1VBT0.78
NIT4-NITROANILINEB1LOP0.78
NIT4-NITROANILINEC,D1ZKF0.78
NIT4-NITROANILINEB1PIP0.78
NBENITROSOBENZENEA1LH70.77
NBENITROSOBENZENEA2LH70.77
NBENITROSOBENZENEA2NSS0.77
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.76
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.87
PNZP-NITRO-BENZYLAMINEA,B2C700.87
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.73
PRY2-PROPYL-ANILINEA1OWY0.8
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.81
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.81
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.79
XYD2,5-DIMETHYLANILINEA1L4L0.79