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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03090679

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JN3CHENODEOXYCHOLIC ACIDA2JN30.73
WINmethyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-
15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-
3,11,12-trihydroxy-2,16-dioxo-13,20-
epoxypicras-3-en-21-oate		0,1,2,3,9,A,
B,C,F,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		3G710.7
0ASasiatic acidA2QN10.73
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.77
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.73
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.73
CHDCHOLIC ACIDA,B2PNJ0.73
CHDCHOLIC ACIDA,B1HRK0.73
CHDCHOLIC ACIDA,B2PO70.73
CHDCHOLIC ACIDA2QO60.73
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.73
CHDCHOLIC ACIDA2AZY0.73
CHDCHOLIC ACIDA,B,C2DQY0.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.73
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.73
CHDCHOLIC ACIDA,B,C,D2QD10.73
CHDCHOLIC ACIDA2FT90.73
CHDCHOLIC ACIDA,B2HRC0.73
CHDCHOLIC ACIDA,B1TW40.73
CHDCHOLIC ACIDA,B2QD30.73
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.73
CHDCHOLIC ACIDA2RLC0.73
CHDCHOLIC ACIDA,B1ON50.73
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.73
CHDCHOLIC ACIDA,B2QD40.73
CHDCHOLIC ACIDA2QO50.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.73
CHDCHOLIC ACIDA,B2QD20.73
CHDCHOLIC ACIDA,B,C3ELZ0.73
CHDCHOLIC ACIDA,B2PO50.73
CHDCHOLIC ACIDA,B1S9Q0.73
CHDCHOLIC ACIDA,B1EE20.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.73
CHDCHOLIC ACIDA,B,C,D2HRE0.73
CHDCHOLIC ACIDA,B2QD50.73
CHDCHOLIC ACIDA,B3EM00.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.73
CHDCHOLIC ACIDA2QO40.73
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.73
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.73
TESTESTOSTERONEA1JTV0.7
TESTESTOSTERONEA2Q7L0.7
TESTESTOSTERONEA2Q7I0.7
TESTESTOSTERONEA,B1J960.7
TESTESTOSTERONEA2Q7K0.7
TESTESTOSTERONEA,B1Q130.7
TESTESTOSTERONEH1I9J0.7
TESTESTOSTERONEA,B1AFS0.7
TESTESTOSTERONEH1VPO0.7
TESTESTOSTERONEA2Q7J0.7
TESTESTOSTERONEA,B3BUR0.7
TESTESTOSTERONEA2AM90.7
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.81
GR33-ACETOXY-17-(1-FORMYL-5-METHYL-
3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-
TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-
4-CARBOXYLIC ACID		B,D1AWH0.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.71
CXTCARBOXYATRACTYLOSIDEA2C3E0.75
CXTCARBOXYATRACTYLOSIDEA1OKC0.75
GR4H,I1AWF0.73
GA3GIBBERELLIN A3A2ZSH0.7
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.7
AS4ALDOSTERONEA2AA20.72
AS4ALDOSTERONEA2Q1H0.72
NTHSUCCINIC ACID MONO-(13-METHYL-3-
OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-
17-YL) ESTER		A,B1BUQ0.78
CBOCARBENOXOLONEA,B,C,D1HDC0.77
CBOCARBENOXOLONEA,B,C,D2BEL0.77
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.73
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.73
SO1A1U2R0.71
SO1A1N0U0.71
SO1T2P8Y0.71
SO1T2P8Z0.71
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.73
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.7
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		A,D1R1K0.73
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,U1Z5X0.73
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,F,G,H2NXX0.73
ZK59ALPHA-FLUOROCORTISOLA1GS40.72
FUAFUSIDIC ACIDA1QCA0.76
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.76
FUAFUSIDIC ACIDA,B2VUF0.76
DTXDIGITOXIGENINA1LNM0.72
DEXDEXAMETHASONEA,D1M2Z0.72
DEXDEXAMETHASONEA,B,C,D1P930.72
FOKFORSKOLINA,C3C160.76
FOKFORSKOLINA,C1CJU0.76
FOKFORSKOLINA,C1TL70.76
FOKFORSKOLINA,B1AB80.76
FOKFORSKOLINA,C3C140.76
FOKFORSKOLINA,C1CJT0.76
FOKFORSKOLINA,B,C1CUL0.76
FOKFORSKOLINA,C1CJV0.76
FOKFORSKOLINA,C3C150.76
FOKFORSKOLINA,C1U0H0.76
FOKFORSKOLINA,B,C1CS40.76
FOKFORSKOLINA,C1CJK0.76
GA4GIBBERELLIN A4A2ZSI0.79
GA4GIBBERELLIN A4A,B,C,D,E,F3EBL0.79
GA4GIBBERELLIN A4H,I1KFA0.79
SIMSIMVASTATINA,B,C,D1HW90.71
C0RCORTICOSTERONEA2A3I0.72
C0RCORTICOSTERONEA,B1Y5R0.72
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.73
DOGDIGOXIGENINA1LKE0.73
PRB13-ACETYLPHORBOLA1PTR0.72
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.79
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.79
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.79