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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009884

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
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.85
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.85
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.85
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.85
5AN3,5-DIFLUOROANILINEA1LGX0.73
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.87
34A3,4-DIMETHYLANILINEA1L4K0.74
3NT3-NITROTOLUENEA,B2BMR0.92
3NT3-NITROTOLUENEA,B2HMO0.92
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.72
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
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.72
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
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
NBENITROSOBENZENEA1LH70.8
NBENITROSOBENZENEA2LH70.8
NBENITROSOBENZENEA2NSS0.8
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
PRY2-PROPYL-ANILINEA1OWY0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.74
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.73
1AN2-FLUOROANILINEA1LGW0.73
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 ACIDB1AJN0.73
NINDINITROPHENYLENEA1RSM0.81
NINDINITROPHENYLENEA1GVY0.81
NINDINITROPHENYLENEA1GW10.81
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
ANLANILINEA2OV40.71
ANLANILINEA1AEE0.71
ANLANILINEA1PPA0.71
ANLANILINEA1HJ90.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.76
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.88
PNZP-NITRO-BENZYLAMINEA,B2C700.88
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.87
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
NBZNITROBENZENEA,B2BMQ0.86
NBZNITROBENZENEA,B3BGU0.86
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
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