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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02236657

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.7
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.7
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.7
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.7
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.7
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.73
PRY2-PROPYL-ANILINEA1OWY0.77
CVICRYSTAL VIOLETA,B,D,E1JTX0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.7
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.78
ISOPARA-ISOPROPYLANILINEA,B1ELC0.78
ISOPARA-ISOPROPYLANILINEA,B1ELB0.78
ISOPARA-ISOPROPYLANILINEA,B1ELA0.78
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.78
XYD2,5-DIMETHYLANILINEA1L4L0.78
ANCANTHRACEN-1-YLAMINEA,B1GT10.93
ANCANTHRACEN-1-YLAMINEA,B1HN20.93
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
9AP9-AMINOPHENANTHRENEA1EGY0.94
AN3ANTHRACENEA,B2HMN0.73
AN3ANTHRACENEA,B2HMM0.73
PEYPHENANTHRENEA,B2HML0.73
PEYPHENANTHRENEA,B2HMK0.73
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
34A3,4-DIMETHYLANILINEA1L4K0.8
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.76
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.73
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.7
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.76