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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02341068

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNSA,B,L2G2R0.71
34A3,4-DIMETHYLANILINEA1L4K0.74
3NT3-NITROTOLUENEA,B2BMR0.92
3NT3-NITROTOLUENEA,B2HMO0.92
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.72
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
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
NIT4-NITROANILINEC,D1RMH0.83
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.83
NIT4-NITROANILINEB1VBS0.83
NIT4-NITROANILINEC1V9T0.83
NIT4-NITROANILINEC,D1VBT0.83
NIT4-NITROANILINEB1LOP0.83
NIT4-NITROANILINEC,D1ZKF0.83
NIT4-NITROANILINEB1PIP0.83
NBENITROSOBENZENEA1LH70.8
NBENITROSOBENZENEA2LH70.8
NBENITROSOBENZENEA2NSS0.8
PRY2-PROPYL-ANILINEA1OWY0.75
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.74
NINDINITROPHENYLENEA1RSM0.85
NINDINITROPHENYLENEA1GVY0.85
NINDINITROPHENYLENEA1GW10.85
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.73
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
PBZP-AMINO BENZAMIDINEA,B2BDG0.73
PBZP-AMINO BENZAMIDINEA1RFN0.73
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.73
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.73
PBZP-AMINO BENZAMIDINEA1FIZ0.73
PBZP-AMINO BENZAMIDINEA1FIW0.73
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.86
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.73
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.94
PNZP-NITRO-BENZYLAMINEA,B2C700.94
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.77
ANLANILINEA2OV40.71
ANLANILINEA1AEE0.71
ANLANILINEA1PPA0.71
ANLANILINEA1HJ90.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.76
TNL2,4,6-TRINITROTOLUENEA1GVR0.91
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.87
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.71
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.74
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.72
NBZNITROBENZENEA,B2BMQ0.86
NBZNITROBENZENEA,B3BGU0.86
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
PPNPARA-NITROPHENYLALANINEI1YTJ0.74
AAHH1KEL0.72
AAHB,H1FL60.72