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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02770421

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.8
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
3MB3-METHOXYBENZAMIDEA3PAX0.79
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.78
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
SHASALICYLHYDROXAMIC ACIDX1V0H0.77
SHASALICYLHYDROXAMIC ACIDA2QPK0.77
SHASALICYLHYDROXAMIC ACIDA3FNL0.77
SHASALICYLHYDROXAMIC ACIDA3GCJ0.77
SHASALICYLHYDROXAMIC ACIDA1CK60.77
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.7
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.74
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.71
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.71
TYCL-TYROSINAMIDEA2BF90.72
TYCL-TYROSINAMIDEA2OCI0.72
3XH3-Hydroxyhippuric acidA3E9K0.76
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.77
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.71
3BE3-bromo-N'-[(1E)-(3,5-dibromo-2,4-
dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DOZ0.7
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.79