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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02324176

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.72
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE		A,B3FCB0.75
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE		A2EW60.72
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.72
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE		A,B1KZK0.7
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE		B1MSM0.7
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE		A,B2ANL0.7
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE		B1MSN0.7
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.73
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.73
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.73
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.7
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.7
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.76
MTYMETA-TYROSINEA2TOH0.7
MTYMETA-TYROSINEA,B1BIQ0.7
MTYMETA-TYROSINEA1Q7O0.7
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.78
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.71
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE		A,B2IEH0.77
099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-
N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]butanediamide		A,B3HYG0.7
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.71
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.7
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.7
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)		A,B,C3CMP0.71
3MB3-METHOXYBENZAMIDEA3PAX0.72
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE		A1ZSJ0.7
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.73
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.72
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL		A,B1S3E0.71
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione		A3G5H0.7
3XH3-Hydroxyhippuric acidA3E9K0.82
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.72
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.72
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol		A,B3EKR0.71
K573-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL-BUTYRYL]-
5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID TERT-
BUTYLAMIDE		B1MRX0.71
K573-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL-BUTYRYL]-
5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID TERT-
BUTYLAMIDE		A1MRW0.71
TYCL-TYROSINAMIDEA2BF90.72
TYCL-TYROSINAMIDEA2OCI0.72
UBC(S)-1-(2-AMINO-2-CARBOXYETHYL)-
3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-
DIONE		A,B2F350.72
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.74
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.74
IFAA,B3FC80.74
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.73
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE		A,B1Q0B0.72
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE		A,B1X880.72
VBP4-({3-[(2R)-2-amino-2-carboxyethyl]-
2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)benzoic acid		B,E,G,H,J,L,
N,P		3H060.71
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C1L6M0.75
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3CBC0.75
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3BY00.75
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.72
SHASALICYLHYDROXAMIC ACIDX1V0H0.76
SHASALICYLHYDROXAMIC ACIDA2QPK0.76
SHASALICYLHYDROXAMIC ACIDA3FNL0.76
SHASALICYLHYDROXAMIC ACIDA3GCJ0.76
SHASALICYLHYDROXAMIC ACIDA1CK60.76
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID		A1ERQ0.76
OI13-(4-HYDROXYBENZYL)-2-[1-({[2-(4-
HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-
4-OXO-3,6,11,11A-TETRAHYDRO-4H-
PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-
1-OLATE		A,B1Q9D0.7
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.71
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)		A,B2CHU0.76