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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01877951

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TESTESTOSTERONEA1JTV1
TESTESTOSTERONEA2Q7L1
TESTESTOSTERONEA2Q7I1
TESTESTOSTERONEA,B1J961
TESTESTOSTERONEA2Q7K1
TESTESTOSTERONEA,B1Q131
TESTESTOSTERONEH1I9J1
TESTESTOSTERONEA,B1AFS1
TESTESTOSTERONEH1VPO1
TESTESTOSTERONEA2Q7J1
TESTESTOSTERONEA,B3BUR1
TESTESTOSTERONEA2AM91
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG1
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ1
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF1
1CADESOXYCORTICOSTERONEA,B1Y9R0.96
1CADESOXYCORTICOSTERONEA,B,C2ABI0.96
1CADESOXYCORTICOSTERONEA2Q3Y0.96
1CADESOXYCORTICOSTERONEA2AA70.96
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.95
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.95
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.95
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.95
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.95
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.94
C0RCORTICOSTERONEA2A3I0.94
C0RCORTICOSTERONEA,B1Y5R0.94
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.91
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.91
AS4ALDOSTERONEA2AA20.9
AS4ALDOSTERONEA2Q1H0.9
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.89
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.89
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.89
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.89
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.89
ZK59ALPHA-FLUOROCORTISOLA1GS40.89
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,B1BUQ0.88
DEXDEXAMETHASONEA,D1M2Z0.87
DEXDEXAMETHASONEA,B,C,D1P930.87
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.87
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.87
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.87
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.86
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.86
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.86
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.86
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.86
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.86
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.86
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.85
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.85
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.85
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.84
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.84
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.84
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.84
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.83
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.83
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.83
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.83
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.83
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.83
ASD4-ANDROSTENE-3-17-DIONEA1XF00.83
HC220-HYDROXYCHOLESTEROLA1ZHW0.83
HC325-HYDROXYCHOLESTEROLA1ZHX0.83
STRPROGESTERONEA1H600.83
STRPROGESTERONEA,B,C1YA30.83
STRPROGESTERONEA,B2AA60.83
STRPROGESTERONEA1MRQ0.83
STRPROGESTERONEA,B1A280.83
STRPROGESTERONEA,B2AA50.83
STRPROGESTERONEA2HZQ0.83
STRPROGESTERONEA1W0F0.83
STRPROGESTERONEA2ABA0.83
STRPROGESTERONEA,B3COT0.83
STRPROGESTERONEH1DBB0.83
STRPROGESTERONEH,L2O5Y0.83
CLRCHOLESTEROLA,B2ZXE0.82
CLRCHOLESTEROLA1N830.82
CLRCHOLESTEROLA2RH10.82
CLRCHOLESTEROLA1LRI0.82
CLRCHOLESTEROLA1ZHY0.82
CLRCHOLESTEROLA3D4S0.82
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.81
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.81
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.81
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.81
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.81
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.81
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,D1AWH0.81
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.81
CLLCHOLESTERYL LINOLEATEA,B1CLE0.8
LANLANOSTEROLA1W6K0.8
HCR7-HYDROXYCHOLESTEROLA1ZHT0.8
2OBCHOLESTERYL OLEATEA2OBD0.8
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,B1P8D0.79
ERGERGOSTEROLA1BXM0.79
ERGERGOSTEROLA1ZHZ0.79
ERGERGOSTEROLA,B2AIB0.79
0MAmaslinic acidA2QN20.78
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.78
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.78
CBOCARBENOXOLONEA,B,C,D1HDC0.78
CBOCARBENOXOLONEA,B,C,D2BEL0.78
0ASasiatic acidA2QN10.78
AE2AETIOCHOLANOLONEA2QP40.78
AE2AETIOCHOLANOLONEA,B1YB10.78
AE2AETIOCHOLANOLONEA2QP30.78
AE2AETIOCHOLANOLONEA,B1X8J0.78
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.78
AE2AETIOCHOLANOLONEH1DBJ0.78
AE2AETIOCHOLANOLONEA1OV40.78
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.78
FUAFUSIDIC ACIDA1QCA0.77
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.77
FUAFUSIDIC ACIDA,B2VUF0.77
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.76
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.76
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.75
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.75
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.75
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.75
HEQ3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-
CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-
OCTADECA-1,3,5,7,9,11,13,15, 17-
NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-
2-ENONE
A,B1M980.73
VD3(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-
7A-METHYL-1-[(2R)-6-METHYLHEPTAN-
2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-
INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-
CYCLOHEXAN-1-OL
A2GJ50.73
VD3(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-
7A-METHYL-1-[(2R)-6-METHYLHEPTAN-
2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-
INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-
CYCLOHEXAN-1-OL
A,B3C6G0.73
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.73
DTXDIGITOXIGENINA1LNM0.73
SNLSPIRONOLACTONEA,B2AB20.72
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.72
JB1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2R,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol
A2ZXM0.72
DOGDIGOXIGENINA1LKE0.72
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.72
JC1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2S,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol
A2ZXN0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.72
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RJK0.71
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3
A2HB80.71
HYF4-HYDROXY-5-ISOBUTYRYL-6-METHYL-
1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-
6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-
3-ENE-2,9-DIONE
A1M130.71
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.71
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZBZ0.71
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RK30.71
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1DB10.71
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE90.71
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2HC40.71
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZLC0.71
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A3CV90.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.71
JN3CHENODEOXYCHOLIC ACIDA2JN30.71
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.71
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.71
CHDCHOLIC ACIDA,B2PNJ0.71
CHDCHOLIC ACIDA,B1HRK0.71
CHDCHOLIC ACIDA,B2PO70.71
CHDCHOLIC ACIDA2QO60.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.71
CHDCHOLIC ACIDA2AZY0.71
CHDCHOLIC ACIDA,B,C2DQY0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.71
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.71
CHDCHOLIC ACIDA,B,C,D2QD10.71
CHDCHOLIC ACIDA2FT90.71
CHDCHOLIC ACIDA,B2HRC0.71
CHDCHOLIC ACIDA,B1TW40.71
CHDCHOLIC ACIDA,B2QD30.71
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.71
CHDCHOLIC ACIDA2RLC0.71
CHDCHOLIC ACIDA,B1ON50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.71
CHDCHOLIC ACIDA,B2QD40.71
CHDCHOLIC ACIDA2QO50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.71
CHDCHOLIC ACIDA,B2QD20.71
CHDCHOLIC ACIDA,B,C3ELZ0.71
CHDCHOLIC ACIDA,B2PO50.71
CHDCHOLIC ACIDA,B1S9Q0.71
CHDCHOLIC ACIDA,B1EE20.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.71
CHDCHOLIC ACIDA,B,C,D2HRE0.71
CHDCHOLIC ACIDA,B2QD50.71
CHDCHOLIC ACIDA,B3EM00.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.71
CHDCHOLIC ACIDA2QO40.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.71
AXTASTAXANTHINA,B1GKA0.7
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.7