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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01368291

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
11M1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-
1-yl]carbonyl}spiro[1-benzofuran-
3,4'-piperidin]-5-yl)methanamine
A,B,C,D2ZEB0.71
EMD5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-
TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-
3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-
ONE
A1IH00.71
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.71
CX62,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-
G]PYRROLO[2,1-B][1,3]BENZOXAZIN-
11-ONE
A,B,C,D,E,F2AL40.71
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE
A1EVE0.77
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.71
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
A2Q630.7
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
B2Q640.7
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
B,D2R5Q0.7
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
A2PYN0.7
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
A2QAK0.7
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
A2PYM0.7
1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL SULFANYL-
BUTYL]-DECAHYDRO-ISOQUINOLINE-3-
CARBOXYLIC ACID TERT-BUTYLAMIDE
A1OHR0.7
REN(S)-reticulineA3FWA0.73
REN(S)-reticulineA3D2D0.73
LZP4,4'-piperazine-1,4-diylbis{1-[3-
(benzyloxy)phenyl]-4-oxobutane-
1,3-dione}
A3EAX0.7
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.74
MZ4N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(3-METHOXYPHENYL)SULFONYL](2-
THIENYLMETHYL)AMINO}PROPYL]-3,4-
DIHYDROXYBENZAMIDE
A,B2QI10.72
BBH1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-
6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE
A,B1D8M0.72
BBH1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-
6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE
A,B1G050.72
K214-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-
7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-
BENZOTHIAZEPINE
A,B1HAK0.7
MDW(1R)-N,6-DIHYDROXY-7-METHOXY-2-
[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-
TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE
A2DDY0.82
CCR[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-
L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-
PIPERIDINE
A1K1N0.71
CCR[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-
L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-
PIPERIDINE
H,I1YPK0.71
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.75