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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021495

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.84
TNSA,B,L2G2R0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.75
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.75
PBZP-AMINO BENZAMIDINEA,B2BDG0.72
PBZP-AMINO BENZAMIDINEA1RFN0.72
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.72
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.72
PBZP-AMINO BENZAMIDINEA1FIZ0.72
PBZP-AMINO BENZAMIDINEA1FIW0.72
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
34A3,4-DIMETHYLANILINEA1L4K0.75
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
NIT4-NITROANILINEC,D1RMH0.81
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.81
NIT4-NITROANILINEB1VBS0.81
NIT4-NITROANILINEC1V9T0.81
NIT4-NITROANILINEC,D1VBT0.81
NIT4-NITROANILINEB1LOP0.81
NIT4-NITROANILINEC,D1ZKF0.81
NIT4-NITROANILINEB1PIP0.81
PRY2-PROPYL-ANILINEA1OWY0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.92
PNZP-NITRO-BENZYLAMINEA,B2C700.92
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.73
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.75
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.78
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.85
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.72
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.73
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.7
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
NBENITROSOBENZENEA1LH70.78
NBENITROSOBENZENEA2LH70.78
NBENITROSOBENZENEA2NSS0.78
NBZNITROBENZENEA,B2BMQ0.84
NBZNITROBENZENEA,B3BGU0.84
3NT3-NITROTOLUENEA,B2BMR0.9
3NT3-NITROTOLUENEA,B2HMO0.9
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
TNL2,4,6-TRINITROTOLUENEA1GVR0.89
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
NINDINITROPHENYLENEA1RSM0.83
NINDINITROPHENYLENEA1GVY0.83
NINDINITROPHENYLENEA1GW10.83
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.75
AAHH1KEL0.72
AAHB,H1FL60.72