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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00187600

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUK0.71
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEE2ERZ0.71
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEA,B2ETK0.71
319N-({4-[(2-aminopyridin-4-yl)oxy]-
3-fluorophenyl}carbamoyl)-2-(4-
fluorophenyl)acetamide
A3CTH0.71
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.73
3LG(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETIC ACID
B2G260.7
4LGMETHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETATE
A,B2G270.7
BAX4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-
N-METHYLPYRIDINE-2-CARBOXAMIDE
A,B1UWH0.71
BAX4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-
N-METHYLPYRIDINE-2-CARBOXAMIDE
A,B1UWJ0.71
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER
A1ME30.71
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2JDO0.71
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2JDT0.71
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2C1A0.71
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FLS0.81
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FM10.81
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate
A2W0B0.73
I04N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-
3-METHOXY-BENZOYL)-BENZOYLAMINO]-
AZEPAN-3-YL}ISONICOTINAMIDE
A1SVG0.71
792N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-
5-methyl-D-tryptophan
A,B,C,D3G420.72
I08(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-
6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-
VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE
A1SVH0.71
I48N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-
ETHOXY]-PHENYL}-BENZENESULFONAMIDE
H1UVT0.8
ILIN-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-
7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-
2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-
YL]AMINO}CARBONYL)-3-METHYLBUTYL]-
1-BENZOFURAN-2-CARBOXAMIDE
A,B2FTD0.71
2CABENZOFURAN-2-CARBOXYLIC ACID {(S)-
3-METHYL-1-[3-OXO-1-(PYRIDIN-2-
YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE
A,B1NLJ0.73
RO1(3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-
3-({3-(METHYLSULFONYL)-N-[(PYRIDIN-
3-YLOXY)ACETYL]-L-VALYL}AMINO)-
2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE-
3-CARBOXAMIDE
A,B2F3K0.73
5PIN-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-
N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-
L-GLUTAMAMIDE
H,L1WV70.71
I1H3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-
4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-
4-YL)METHYL]BENZAMIDE
B2BMG0.7
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.7
POS1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-
3-[[N/N-(4-PYRIDINYLCARBONYL)-L-
LEUCYL]AMINO]-2-PROPANOL
A1AU20.83
L081-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-
3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE
A,B,C,D1RD40.71
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N
A1AU40.72
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B,C,D2W0D0.85
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A3AYK0.85
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B1JIZ0.85
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A4AYK0.85
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid
A3ET30.72
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid
A,B3ET10.72
ET13-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
1H-indol-3-yl}propanoic acid
A,B3ET20.72
AAXN-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-
3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-
OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE
A1Y6B0.73
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.76
NSI3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-
1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-
INDOLE-2-CARBOXAMIDE
A2HFP0.71
KIN1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-
[3-(TRIFLUOROMETHYL)PHENYL]UREA
A2HZN0.75
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHS0.71
GNQN-[(1R)-1-[(BENZYLSULFONYL)METHYL]-
2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-
2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
A,B2HHN0.7
GNQN-[(1R)-1-[(BENZYLSULFONYL)METHYL]-
2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-
2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
A,B2HH50.7
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.72
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.72
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.72