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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02491234

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0MAmaslinic acidA2QN20.86
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.74
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.73
CLLCHOLESTERYL LINOLEATEA,B1CLE0.83
CHDCHOLIC ACIDA,B2PNJ0.75
CHDCHOLIC ACIDA,B1HRK0.75
CHDCHOLIC ACIDA,B2PO70.75
CHDCHOLIC ACIDA2QO60.75
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.75
CHDCHOLIC ACIDA2AZY0.75
CHDCHOLIC ACIDA,B,C2DQY0.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.75
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.75
CHDCHOLIC ACIDA,B,C,D2QD10.75
CHDCHOLIC ACIDA2FT90.75
CHDCHOLIC ACIDA,B2HRC0.75
CHDCHOLIC ACIDA,B1TW40.75
CHDCHOLIC ACIDA,B2QD30.75
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.75
CHDCHOLIC ACIDA2RLC0.75
CHDCHOLIC ACIDA,B1ON50.75
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.75
CHDCHOLIC ACIDA,B2QD40.75
CHDCHOLIC ACIDA2QO50.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.75
CHDCHOLIC ACIDA,B2QD20.75
CHDCHOLIC ACIDA,B,C3ELZ0.75
CHDCHOLIC ACIDA,B2PO50.75
CHDCHOLIC ACIDA,B1S9Q0.75
CHDCHOLIC ACIDA,B1EE20.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.75
CHDCHOLIC ACIDA,B,C,D2HRE0.75
CHDCHOLIC ACIDA,B2QD50.75
CHDCHOLIC ACIDA,B3EM00.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.75
CHDCHOLIC ACIDA2QO40.75
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.75
CLRCHOLESTEROLA,B2ZXE0.78
CLRCHOLESTEROLA1N830.78
CLRCHOLESTEROLA2RH10.78
CLRCHOLESTEROLA1LRI0.78
CLRCHOLESTEROLA1ZHY0.78
CLRCHOLESTEROLA3D4S0.78
2OBCHOLESTERYL OLEATEA2OBD0.83
803LOVASTATINA,B1CQP0.78
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.77
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.75
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.75
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.83
AS4ALDOSTERONEA2AA20.77
AS4ALDOSTERONEA2Q1H0.77
C0RCORTICOSTERONEA2A3I0.81
C0RCORTICOSTERONEA,B1Y5R0.81
CBOCARBENOXOLONEA,B,C,D1HDC0.77
CBOCARBENOXOLONEA,B,C,D2BEL0.77
0ASasiatic acidA2QN10.82
1CADESOXYCORTICOSTERONEA,B1Y9R0.8
1CADESOXYCORTICOSTERONEA,B,C2ABI0.8
1CADESOXYCORTICOSTERONEA2Q3Y0.8
1CADESOXYCORTICOSTERONEA2AA70.8
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.86
114COMPACTINA,B,C,D1HW80.76
CO117-[3-(3,3-DIMETHYL-OXIRANYL)-1-
METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-
3-OL
A,B1P8D0.75