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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00463522

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.79
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL1
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.9
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.9
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.9
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.9
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.9
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.9
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.9
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.9
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.9
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.9
CBOCARBENOXOLONEA,B,C,D1HDC0.74
CBOCARBENOXOLONEA,B,C,D2BEL0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.85
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.85
AOM5-ALPHA-ANDROSTANE-3-BETA,17BETA-
DIOL		A1LHO0.75
SO1A1U2R0.73
SO1A1N0U0.73
SO1T2P8Y0.73
SO1T2P8Z0.73
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE		A,B2IVD0.71
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE		A,B2IVE0.71
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,D1AWH0.71
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.8
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.8
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.8
AON5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-
DIOL		A1LHN0.75
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.88
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.88
JN3CHENODEOXYCHOLIC ACIDA2JN30.88
AE2AETIOCHOLANOLONEA2QP40.85
AE2AETIOCHOLANOLONEA,B1YB10.85
AE2AETIOCHOLANOLONEA2QP30.85
AE2AETIOCHOLANOLONEA,B1X8J0.85
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.85
AE2AETIOCHOLANOLONEH1DBJ0.85
AE2AETIOCHOLANOLONEA1OV40.85
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,B1BUQ0.79
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.88
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.88
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.85
CHDCHOLIC ACIDA,B2PNJ0.88
CHDCHOLIC ACIDA,B1HRK0.88
CHDCHOLIC ACIDA,B2PO70.88
CHDCHOLIC ACIDA2QO60.88
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.88
CHDCHOLIC ACIDA2AZY0.88
CHDCHOLIC ACIDA,B,C2DQY0.88
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.88
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.88
CHDCHOLIC ACIDA,B,C,D2QD10.88
CHDCHOLIC ACIDA2FT90.88
CHDCHOLIC ACIDA,B2HRC0.88
CHDCHOLIC ACIDA,B1TW40.88
CHDCHOLIC ACIDA,B2QD30.88
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.88
CHDCHOLIC ACIDA2RLC0.88
CHDCHOLIC ACIDA,B1ON50.88
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.88
CHDCHOLIC ACIDA,B2QD40.88
CHDCHOLIC ACIDA2QO50.88
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.88
CHDCHOLIC ACIDA,B2QD20.88
CHDCHOLIC ACIDA,B,C3ELZ0.88
CHDCHOLIC ACIDA,B2PO50.88
CHDCHOLIC ACIDA,B1S9Q0.88
CHDCHOLIC ACIDA,B1EE20.88
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.88
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.88
CHDCHOLIC ACIDA,B,C,D2HRE0.88
CHDCHOLIC ACIDA,B2QD50.88
CHDCHOLIC ACIDA,B3EM00.88
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.88
CHDCHOLIC ACIDA2QO40.88
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.88
CI2(5BETA)-PREGNANE-3,20-DIONEA,C,D1XV90.7
CI2(5BETA)-PREGNANE-3,20-DIONEA,B3CAV0.7