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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02374198

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.72
2BP9H-purin-2-amineA3G4M0.76
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.76
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA8ICU0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C1CJV0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,P,T1ZYQ0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA1KEJ0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,P1SKR0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C1CJT0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C,P,Q1SL00.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEP2IMW0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C1CJU0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,T2BQU0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,P,T1SL20.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,B1QSY0.7
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.83
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.8
6AP9H-PURINE-2,6-DIAMINEA2B570.81
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.74
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.7
CL92-chloro-2'-deoxyadenosineA,B2ZI90.7
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.73
6GU6-chloroguanineA3FO40.76
6GU6-chloroguanineA3GOG0.76
6GU6-chloroguanineA3GER0.76
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C3GGS0.7
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A1Z340.7
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C1PKE0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.72
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.76
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.76
MAOA1I720.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C1S2G0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C2C5H0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2Z3M0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI60.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2ZI30.71
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine		A,B3DZ20.71
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.84
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.77
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.77
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.77
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.77
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL		A1GPJ0.71
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.82
PM69H-purine-6-thiolA,B3BGD0.73
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.78
NDM7,9-DIMETHYLGUANINEA1JSZ0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.78
A2F2-fluoroadenineA3GOT0.79
A2F2-fluoroadenineA,B,C3GB90.79
301N6-(penta-2,3-dienyl)adenineA3BW70.76
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.74
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.71
9MG9-METHYLGUANINEA1RRW0.72
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.78
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.83
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.82
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.76
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.75
ADEADENINEA1WEI0.81
ADEADENINEA2QLU0.81
ADEADENINEA,B2H8G0.81
ADEADENINEA,B1HQC0.81
ADEADENINEA1AHA0.81
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.81
ADEADENINEA,B,D1YXM0.81
ADEADENINEA1CB00.81
ADEADENINEA,B2QTT0.81
ADEADENINEA,B,C1XE80.81
ADEADENINEA,B1M2T0.81
ADEADENINEA2P8N0.81
ADEADENINEA,B,C2PQJ0.81
ADEADENINEA,B,C1VRL0.81
ADEADENINEA,B3BSF0.81
ADEADENINEX1Y260.81
ADEADENINEA,B1ZN70.81
ADEADENINEA,B1Z5N0.81
ADEADENINEA1QB70.81
ADEADENINEA1LU10.81
ADEADENINEA,B1Q8Y0.81
ADEADENINEA2QES0.81
ADEADENINEA2PUB0.81
ADEADENINEA1Z8D0.81
ADEADENINEA1JH80.81
ADEADENINEA1QD20.81
ADEADENINEA2ICS0.81
ADEADENINEA1IFS0.81
ADEADENINEA1NLI0.81
ADEADENINEA,B1D2A0.81
ADEADENINEA1GIU0.81
ADEADENINEA1J1R0.81
ADEADENINEA2QET0.81
ADEADENINEA,B,C1OD40.81
ADEADENINEA,B1QCI0.81
ADEADENINEA,B,C,D,E,F2GA40.81
ADEADENINEA,B1JYS0.81
ADEADENINEA1LPD0.81
ADEADENINEA,B1OD20.81
ADEADENINEA1WTA0.81
ADEADENINEA,B,C1S2D0.81
ADEADENINEA1MUD0.81
ADEADENINEA2PUE0.81
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.82
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.77
BP16-BROMO-7H-PURINEA,B,C1S2I0.75
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.71
5AD5'-DEOXYADENOSINEB1XRS0.71
5AD5'-DEOXYADENOSINEA,B,C2CC20.71
5AD5'-DEOXYADENOSINEA,B2FB30.71
5AD5'-DEOXYADENOSINEA3CI30.71
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.71
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.73
BCP2-BROMO-6-CHLORO-PURINEA1M660.73
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.73
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIJ0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1T7P0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,X2PYL0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1SKR0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL10.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL20.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1TK80.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,H,P1R0A0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B1QSY0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1MQ20.71
103A,B,C1CUL0.71
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.79
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.82
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.82
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.82
M1A6-AMINO-1-METHYLPURINEA1B420.82
6MP6-METHYLPURINEA,B,C1OU40.75
6MP6-METHYLPURINEA,B,C1OTY0.75
6MP6-METHYLPURINEA2PUA0.75
3MA6-AMINO-3-METHYLPURINEA3MAG0.82
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A2ZI40.71
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI50.71
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.79
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.81
3AD3'-DEOXYADENOSINEA,B3B4B0.7
3AD3'-DEOXYADENOSINEA,B3B4C0.7
3AD3'-DEOXYADENOSINEA,B1FA00.7
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.73
A43A,B,C,D,E,F363D0.71