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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03506037

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0MAmaslinic acidA2QN20.7
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.71
ANO5-BETA-ANDROSTANE-3,17-DIONEH,L2O5Z0.73
ANO5-BETA-ANDROSTANE-3,17-DIONEH1DBK0.73
CHDCHOLIC ACIDA,B2PNJ0.96
CHDCHOLIC ACIDA,B1HRK0.96
CHDCHOLIC ACIDA,B2PO70.96
CHDCHOLIC ACIDA2QO60.96
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.96
CHDCHOLIC ACIDA2AZY0.96
CHDCHOLIC ACIDA,B,C2DQY0.96
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.96
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.96
CHDCHOLIC ACIDA,B,C,D2QD10.96
CHDCHOLIC ACIDA2FT90.96
CHDCHOLIC ACIDA,B2HRC0.96
CHDCHOLIC ACIDA,B1TW40.96
CHDCHOLIC ACIDA,B2QD30.96
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.96
CHDCHOLIC ACIDA2RLC0.96
CHDCHOLIC ACIDA,B1ON50.96
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.96
CHDCHOLIC ACIDA,B2QD40.96
CHDCHOLIC ACIDA2QO50.96
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.96
CHDCHOLIC ACIDA,B2QD20.96
CHDCHOLIC ACIDA,B,C3ELZ0.96
CHDCHOLIC ACIDA,B2PO50.96
CHDCHOLIC ACIDA,B1S9Q0.96
CHDCHOLIC ACIDA,B1EE20.96
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.96
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.96
CHDCHOLIC ACIDA,B,C,D2HRE0.96
CHDCHOLIC ACIDA,B2QD50.96
CHDCHOLIC ACIDA,B3EM00.96
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.96
CHDCHOLIC ACIDA2QO40.96
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.96
1CADESOXYCORTICOSTERONEA,B1Y9R0.7
1CADESOXYCORTICOSTERONEA,B,C2ABI0.7
1CADESOXYCORTICOSTERONEA2Q3Y0.7
1CADESOXYCORTICOSTERONEA2AA70.7
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.71
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.71
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.71
0ASasiatic acidA2QN10.7
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.96
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.96
AOM5-ALPHA-ANDROSTANE-3-BETA,17BETA-
DIOL
A1LHO0.85
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.92
AON5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-
DIOL
A1LHN0.85
CAX(2S,4S)-4-(2,2-DIHYDROXYETHYL)-
2,3,3-TRIMETHYLCYCLOPENTANONE
A,B,C,D,E,F,
G,H,I,J,K,L
1SZO0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.73
CI2(5BETA)-PREGNANE-3,20-DIONEA,C,D1XV90.74
CI2(5BETA)-PREGNANE-3,20-DIONEA,B3CAV0.74
CAH5-EXO-HYDROXYCAMPHORA1NOO0.73
2OBCHOLESTERYL OLEATEA2OBD0.7
CLLCHOLESTERYL LINOLEATEA,B1CLE0.7
5SD5ALPHA-ANDROSTAN-3,17-DIONEA1QYW0.73
5SD5ALPHA-ANDROSTAN-3,17-DIONEA,B,C1OHS0.73
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.92
AE2AETIOCHOLANOLONEA2QP40.92
AE2AETIOCHOLANOLONEA,B1YB10.92
AE2AETIOCHOLANOLONEA2QP30.92
AE2AETIOCHOLANOLONEA,B1X8J0.92
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.92
AE2AETIOCHOLANOLONEH1DBJ0.92
AE2AETIOCHOLANOLONEA1OV40.92