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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03138658

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBENITROSOBENZENEA1LH70.81
NBENITROSOBENZENEA2LH70.81
NBENITROSOBENZENEA2NSS0.81
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.77
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.91
PNZP-NITRO-BENZYLAMINEA,B2C700.91
ANLANILINEA2OV40.72
ANLANILINEA1AEE0.72
ANLANILINEA1PPA0.72
ANLANILINEA1HJ90.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.77
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.77
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.76
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.81
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.85
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.79
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
NID4-NITRO-INDEN-1-ONEA,B1DOH0.73
PBZP-AMINO BENZAMIDINEA,B2BDG0.74
PBZP-AMINO BENZAMIDINEA1RFN0.74
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.74
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.74
PBZP-AMINO BENZAMIDINEA1FIZ0.74
PBZP-AMINO BENZAMIDINEA1FIW0.74
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.9
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
NIT4-NITROANILINEC,D1RMH0.82
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.82
NIT4-NITROANILINEB1VBS0.82
NIT4-NITROANILINEC1V9T0.82
NIT4-NITROANILINEC,D1VBT0.82
NIT4-NITROANILINEB1LOP0.82
NIT4-NITROANILINEC,D1ZKF0.82
NIT4-NITROANILINEB1PIP0.82
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.78
3NT3-NITROTOLUENEA,B2BMR0.95
3NT3-NITROTOLUENEA,B2HMO0.95
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.75
NBZNITROBENZENEA,B2BMQ0.87
NBZNITROBENZENEA,B3BGU0.87
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.77
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.75
NCR2-NITRO-P-CRESOLA,B1AHV0.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.75
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.81
XYD2,5-DIMETHYLANILINEA1L4L0.81
ISOPARA-ISOPROPYLANILINEA1BMA0.81
ISOPARA-ISOPROPYLANILINEA,B1ELC0.81
ISOPARA-ISOPROPYLANILINEA,B1ELB0.81
ISOPARA-ISOPROPYLANILINEA,B1ELA0.81
34A3,4-DIMETHYLANILINEA1L4K0.81
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.9
NINDINITROPHENYLENEA1RSM0.82
NINDINITROPHENYLENEA1GVY0.82
NINDINITROPHENYLENEA1GW10.82
PRY2-PROPYL-ANILINEA1OWY0.82
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.73
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.73
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.73