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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02270418

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.76
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6I0.73
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6L0.73
5CD5'-CHLORO-5'-DEOXYADENOSINEA,B,C2C2W0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.74
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.74
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.72
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.7
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.7
CFB2-CHLORO-9-(2-DEOXY-2-FLUORO-B -
D-ARABINOFURANOSYL)-9H-PURIN-6-
AMINE		A2A7Q0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.75
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.75
9MG9-METHYLGUANINEA1RRW0.71
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.75
ADI2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHATEA1JX40.7
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.71
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
3MA6-AMINO-3-METHYLPURINEA3MAG0.75
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A2ZI40.72
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI50.72
6GU6-chloroguanineA3FO40.81
6GU6-chloroguanineA3GOG0.81
6GU6-chloroguanineA3GER0.81
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.72
A2F2-fluoroadenineA3GOT0.74
A2F2-fluoroadenineA,B,C3GB90.74
ADEADENINEA1WEI0.75
ADEADENINEA2QLU0.75
ADEADENINEA,B2H8G0.75
ADEADENINEA,B1HQC0.75
ADEADENINEA1AHA0.75
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.75
ADEADENINEA,B,D1YXM0.75
ADEADENINEA1CB00.75
ADEADENINEA,B2QTT0.75
ADEADENINEA,B,C1XE80.75
ADEADENINEA,B1M2T0.75
ADEADENINEA2P8N0.75
ADEADENINEA,B,C2PQJ0.75
ADEADENINEA,B,C1VRL0.75
ADEADENINEA,B3BSF0.75
ADEADENINEX1Y260.75
ADEADENINEA,B1ZN70.75
ADEADENINEA,B1Z5N0.75
ADEADENINEA1QB70.75
ADEADENINEA1LU10.75
ADEADENINEA,B1Q8Y0.75
ADEADENINEA2QES0.75
ADEADENINEA2PUB0.75
ADEADENINEA1Z8D0.75
ADEADENINEA1JH80.75
ADEADENINEA1QD20.75
ADEADENINEA2ICS0.75
ADEADENINEA1IFS0.75
ADEADENINEA1NLI0.75
ADEADENINEA,B1D2A0.75
ADEADENINEA1GIU0.75
ADEADENINEA1J1R0.75
ADEADENINEA2QET0.75
ADEADENINEA,B,C1OD40.75
ADEADENINEA,B1QCI0.75
ADEADENINEA,B,C,D,E,F2GA40.75
ADEADENINEA,B1JYS0.75
ADEADENINEA1LPD0.75
ADEADENINEA,B1OD20.75
ADEADENINEA1WTA0.75
ADEADENINEA,B,C1S2D0.75
ADEADENINEA1MUD0.75
ADEADENINEA2PUE0.75
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.73
CL92-chloro-2'-deoxyadenosineA,B2ZI90.73
3AD3'-DEOXYADENOSINEA,B3B4B0.71
3AD3'-DEOXYADENOSINEA,B3B4C0.71
3AD3'-DEOXYADENOSINEA,B1FA00.71
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.78
M1A6-AMINO-1-METHYLPURINEA1B420.75
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.7
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.72
5AD5'-DEOXYADENOSINEB1XRS0.72
5AD5'-DEOXYADENOSINEA,B,C2CC20.72
5AD5'-DEOXYADENOSINEA,B2FB30.72
5AD5'-DEOXYADENOSINEA3CI30.72
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.72
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.79
BCP2-BROMO-6-CHLORO-PURINEA1M660.78
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.78
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.8
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.7
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.73
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C3GGS0.71
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A1Z340.71
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C1PKE0.71
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.71
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
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.76
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.76
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.74
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.79
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.79
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C1S2G0.72
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C2C5H0.72
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2Z3M0.72
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI60.72
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2ZI30.72
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.79
6AP9H-PURINE-2,6-DIAMINEA2B570.75
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.71
FA25-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-
3-YL DIHYDROGEN PHOSPHATE		A,B1PWF0.7