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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727628

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CHDCHOLIC ACIDA,B2PNJ0.74
CHDCHOLIC ACIDA,B1HRK0.74
CHDCHOLIC ACIDA,B2PO70.74
CHDCHOLIC ACIDA2QO60.74
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.74
CHDCHOLIC ACIDA2AZY0.74
CHDCHOLIC ACIDA,B,C2DQY0.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.74
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.74
CHDCHOLIC ACIDA,B,C,D2QD10.74
CHDCHOLIC ACIDA2FT90.74
CHDCHOLIC ACIDA,B2HRC0.74
CHDCHOLIC ACIDA,B1TW40.74
CHDCHOLIC ACIDA,B2QD30.74
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.74
CHDCHOLIC ACIDA2RLC0.74
CHDCHOLIC ACIDA,B1ON50.74
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.74
CHDCHOLIC ACIDA,B2QD40.74
CHDCHOLIC ACIDA2QO50.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.74
CHDCHOLIC ACIDA,B2QD20.74
CHDCHOLIC ACIDA,B,C3ELZ0.74
CHDCHOLIC ACIDA,B2PO50.74
CHDCHOLIC ACIDA,B1S9Q0.74
CHDCHOLIC ACIDA,B1EE20.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.74
CHDCHOLIC ACIDA,B,C,D2HRE0.74
CHDCHOLIC ACIDA,B2QD50.74
CHDCHOLIC ACIDA,B3EM00.74
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.74
CHDCHOLIC ACIDA2QO40.74
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.74
AS4ALDOSTERONEA2AA20.73
AS4ALDOSTERONEA2Q1H0.73
0ASasiatic acidA2QN10.73
2OBCHOLESTERYL OLEATEA2OBD0.76
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.77
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,B,E1R8Q0.74
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A1RE00.74
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,E1S9D0.74
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.71
CLLCHOLESTERYL LINOLEATEA,B1CLE0.76
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.74
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.74
0MAmaslinic acidA2QN20.73
C0RCORTICOSTERONEA2A3I0.76
C0RCORTICOSTERONEA,B1Y5R0.76
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.78
1CADESOXYCORTICOSTERONEA,B1Y9R0.76
1CADESOXYCORTICOSTERONEA,B,C2ABI0.76
1CADESOXYCORTICOSTERONEA2Q3Y0.76
1CADESOXYCORTICOSTERONEA2AA70.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.74
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,B1P8D0.72
CLRCHOLESTEROLA,B2ZXE0.71
CLRCHOLESTEROLA1N830.71
CLRCHOLESTEROLA2RH10.71
CLRCHOLESTEROLA1LRI0.71
CLRCHOLESTEROLA1ZHY0.71
CLRCHOLESTEROLA3D4S0.71
CBOCARBENOXOLONEA,B,C,D1HDC0.76
CBOCARBENOXOLONEA,B,C,D2BEL0.76
0CO(1S,3R,5Z,7E,14beta,17alpha,23R)-
23-(2-hydroxy-2-methylpropyl)-20,24-
epoxy-9,10-secochola-5,7,10-triene-
1,3-diol
A3CS60.73
BIV21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-
TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-
4-METHYLPENTYL)-, (1A,3B,5Z,7E)
A2HCD0.71
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.72