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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02082106

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B2AVN0.73
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA1XTP0.73
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B1IM80.73
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.72
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.76
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.72
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.72
M1A6-AMINO-1-METHYLPURINEA1B420.72
3MA6-AMINO-3-METHYLPURINEA3MAG0.72
A2F2-fluoroadenineA3GOT0.7
A2F2-fluoroadenineA,B,C3GB90.7
6AP9H-PURINE-2,6-DIAMINEA2B570.71
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.75
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.72
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.78
MAOA1I720.7
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.78
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine
A,B3DZ20.71
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.71
DEAD-ERITADENINEA,B,C,D,E,F,
G,H
1K0U0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.81
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.81
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.81
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.81
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.81
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.81
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.81
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.81
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.81
MHZ5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINEA1I790.7
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.78
EEM[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-
[[(2S,3S,4R,5R)-5-(6-aminopurin-
9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-
methyl-selanium
A3E5F0.74
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
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.74
O8M2-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]acetamide
A,B3DZ70.71
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.72
ADEADENINEA1WEI0.71
ADEADENINEA2QLU0.71
ADEADENINEA,B2H8G0.71
ADEADENINEA,B1HQC0.71
ADEADENINEA1AHA0.71
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.71
ADEADENINEA,B,D1YXM0.71
ADEADENINEA1CB00.71
ADEADENINEA,B2QTT0.71
ADEADENINEA,B,C1XE80.71
ADEADENINEA,B1M2T0.71
ADEADENINEA2P8N0.71
ADEADENINEA,B,C2PQJ0.71
ADEADENINEA,B,C1VRL0.71
ADEADENINEA,B3BSF0.71
ADEADENINEX1Y260.71
ADEADENINEA,B1ZN70.71
ADEADENINEA,B1Z5N0.71
ADEADENINEA1QB70.71
ADEADENINEA1LU10.71
ADEADENINEA,B1Q8Y0.71
ADEADENINEA2QES0.71
ADEADENINEA2PUB0.71
ADEADENINEA1Z8D0.71
ADEADENINEA1JH80.71
ADEADENINEA1QD20.71
ADEADENINEA2ICS0.71
ADEADENINEA1IFS0.71
ADEADENINEA1NLI0.71
ADEADENINEA,B1D2A0.71
ADEADENINEA1GIU0.71
ADEADENINEA1J1R0.71
ADEADENINEA2QET0.71
ADEADENINEA,B,C1OD40.71
ADEADENINEA,B1QCI0.71
ADEADENINEA,B,C,D,E,F2GA40.71
ADEADENINEA,B1JYS0.71
ADEADENINEA1LPD0.71
ADEADENINEA,B1OD20.71
ADEADENINEA1WTA0.71
ADEADENINEA,B,C1S2D0.71
ADEADENINEA1MUD0.71
ADEADENINEA2PUE0.71
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.71
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.77
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.72
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.7
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.78
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.78
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA,B,C2C4T0.73
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA1Z3C0.73
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA,B,C2H2E0.73
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.76
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.76
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.73