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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004617

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
PRY2-PROPYL-ANILINEA1OWY0.78
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.75
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.74
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
CVICRYSTAL VIOLETA,B,D,E1JTX0.71
9AP9-AMINOPHENANTHRENEA1EGY0.84
ANCANTHRACEN-1-YLAMINEA,B1GT10.85
ANCANTHRACEN-1-YLAMINEA,B1HN20.85
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.77
XYD2,5-DIMETHYLANILINEA1L4L0.77
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.77
MGRMALACHITE GREENA,B3BQZ0.71
MGRMALACHITE GREENA1Q8N0.71
MGRMALACHITE GREENA,B3BR00.71
MGRMALACHITE GREENA,D,E3BTL0.71
MGRMALACHITE GREENA,B,D,E3BTC0.71
MGRMALACHITE GREENA,B,D,E1JUP0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.74
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.74
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.77
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
34A3,4-DIMETHYLANILINEA1L4K0.8
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.7
ISOPARA-ISOPROPYLANILINEA1BMA0.76
ISOPARA-ISOPROPYLANILINEA,B1ELC0.76
ISOPARA-ISOPROPYLANILINEA,B1ELB0.76
ISOPARA-ISOPROPYLANILINEA,B1ELA0.76