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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00079184

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.73
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.77
PBZP-AMINO BENZAMIDINEA1RFN0.77
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.77
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.77
PBZP-AMINO BENZAMIDINEA1FIZ0.77
PBZP-AMINO BENZAMIDINEA1FIW0.77
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.77
3NT3-NITROTOLUENEA,B2BMR0.85
3NT3-NITROTOLUENEA,B2HMO0.85
34A3,4-DIMETHYLANILINEA1L4K0.75
BRNBERENILA,B268D0.71
BRNBERENILA,B1D630.71
BRNBERENILA,D,E2GBY0.71
BRNBERENILA2DBE0.71
BRNBERENILA2GVR0.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
NINDINITROPHENYLENEA1RSM0.75
NINDINITROPHENYLENEA1GVY0.75
NINDINITROPHENYLENEA1GW10.75
PRY2-PROPYL-ANILINEA1OWY0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.7
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.84
PNZP-NITRO-BENZYLAMINEA,B2C700.84
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.83
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.78
PPNPARA-NITROPHENYLALANINEI1YTJ0.7
CVICRYSTAL VIOLETA,B,D,E1JTX0.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.7
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.7
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.7
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.83
MGRMALACHITE GREENA,B3BQZ0.72
MGRMALACHITE GREENA1Q8N0.72
MGRMALACHITE GREENA,B3BR00.72
MGRMALACHITE GREENA,D,E3BTL0.72
MGRMALACHITE GREENA,B,D,E3BTC0.72
MGRMALACHITE GREENA,B,D,E1JUP0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.71
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
NIT4-NITROANILINEC,D1RMH0.75
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.75
NIT4-NITROANILINEB1VBS0.75
NIT4-NITROANILINEC1V9T0.75
NIT4-NITROANILINEC,D1VBT0.75
NIT4-NITROANILINEB1LOP0.75
NIT4-NITROANILINEC,D1ZKF0.75
NIT4-NITROANILINEB1PIP0.75