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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01665471

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.71
TNSA,B,L2G2R0.71
NIYMETA-NITRO-TYROSINEA2ADP0.74
NIYMETA-NITRO-TYROSINEA3DIV0.74
NIYMETA-NITRO-TYROSINEA2H5U0.74
NIYMETA-NITRO-TYROSINEA1K4Q0.74
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.74
DMBA,B1SRI0.77
NABA,B1SRJ0.72
BIA1-(3,4,DIHYDROXY-5-NITROPHENYL)-
3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-
1-YL}PROPAN-1-ONE
A1H1D0.79
HABA,B1SRE0.75
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.7
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide
A,B3ESP0.71
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.7
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.73
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.72
MTBA,B1SRF0.77
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.76
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.72
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.73
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.7
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.74
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.78
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.72
MHBA,B1SRG0.76
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.72
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.72
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.73
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.76
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.7
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.74
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.7
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.7