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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00575120

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)
A,B,C3CMP0.7
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.73
3XH3-Hydroxyhippuric acidA3E9K0.74
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.82
1615-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
A,B1NMS0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.71
DMBA,B1SRI0.7
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.75
3MB3-METHOXYBENZAMIDEA3PAX0.71
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.72
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.77
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.75
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.73
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.73
SAL2-HYDROXYBENZOIC ACIDA2I300.73
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.73
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.73
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.73
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.73
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.73
SAL2-HYDROXYBENZOIC ACIDA1WYG0.73
SAL2-HYDROXYBENZOIC ACIDA1JGS0.73
SAL2-HYDROXYBENZOIC ACIDX1M6E0.73
SAL2-HYDROXYBENZOIC ACIDA3B9M0.73
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.73
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.73
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.73
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.72
SHASALICYLHYDROXAMIC ACIDX1V0H0.82
SHASALICYLHYDROXAMIC ACIDA2QPK0.82
SHASALICYLHYDROXAMIC ACIDA3FNL0.82
SHASALICYLHYDROXAMIC ACIDA3GCJ0.82
SHASALICYLHYDROXAMIC ACIDA1CK60.82
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C1L6M0.72
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3CBC0.72
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3BY00.72
MTBA,B1SRF0.71
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.71
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
C,O2V120.71
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.76
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.71
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.71
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE
A2V130.72
MHBA,B1SRG0.72
TYCL-TYROSINAMIDEA2BF90.72
TYCL-TYROSINAMIDEA2OCI0.72
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.71
HABA,B1SRE0.71
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.75
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.75
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.77
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71
IFAA,B3FC80.73
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.79