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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01776870

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CNE(3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-
3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-
3-OXOPROP-1-ENYL]PHENYL}ACETYL)-
D-VALYL]AMINO}-4-OXOPENTANOIC ACID
A1RHR0.72
35B4-bromo-3-(carboxymethoxy)-5-{3-
[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-
2-carboxylic acid
A2ZMM0.7
11M1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-
1-yl]carbonyl}spiro[1-benzofuran-
3,4'-piperidin]-5-yl)methanamine
A,B,C,D2ZEB0.76
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
C,O2V120.72
HBBN-{(2R)-2-HYDROXY-2-[(8S,11S)-8-
ISOPROPYL-6,9-DIOXO-2-OXA-7,10-
DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-
TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE
A,B1Z1H0.71
DRS(9S,12S)-9-(1-methylethyl)-7,10-
dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-
1(16),14,17-triene-12-carboxylic acid
A,B3BXS0.72
CS9N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-
2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A,B2QMF0.72
2FF(5-(aminomethyl)-2H-spiro[benzofuran-
3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-
2-yl)methanone
A,B,C,D2ZA50.7
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE
A1REJ0.7
32P3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-
5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE
A1TQF0.71
AXL2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-
ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
B1LL90.72
006(4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-
2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-
2-hydroxy-2,3-dihydro-1H-inden-
1-yl]-5,5-dimethyl-1,3-thiazolidine-
4-carboxamide
A,B,C,D3FNU0.75
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE
A2V130.72
DBON-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-
10-CARBOXAMIDE
A,B,C,D2EWY0.71
CS5N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A,B2QK50.71
B98(3R)-3-(aminomethyl)-9-methoxy-
1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-
e][1,4]diazepin-5-one
A3FZ10.72
B98(3R)-3-(aminomethyl)-9-methoxy-
1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-
e][1,4]diazepin-5-one
X3FYK0.72
154(2S)-2-[(5-BENZOFURAN-2-YL-THIOPHEN-
2-YLMETHYL)-(2,4-DICHLORO-BENZOYL)-
AMINO]-3-PHENYL-PROPIONIC ACID
A,B1NHV0.73
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL20.72
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL10.72
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
A2Q630.71
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
B2Q640.71
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
B,D2R5Q0.71
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
A2PYN0.71
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
A2QAK0.71
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
A2PYM0.71
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
A1OHR0.71
ADF4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-
1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-
3-TERT-BUTYLBENZOIC ACID
A2G5P0.72