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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02082103

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AS5'-O-(N-ETHYL-SULFAMOYL)ADENOSINEA1RZY0.7
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.75
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.73
5AD5'-DEOXYADENOSINEB1XRS0.73
5AD5'-DEOXYADENOSINEA,B,C2CC20.73
5AD5'-DEOXYADENOSINEA,B2FB30.73
5AD5'-DEOXYADENOSINEA3CI30.73
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.73
6MP6-METHYLPURINEA,B,C1OU40.71
6MP6-METHYLPURINEA,B,C1OTY0.71
6MP6-METHYLPURINEA2PUA0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.8
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.8
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.77
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.77
2BP9H-purin-2-amineA3G4M0.71
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.79
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.76
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.73
6GO6-O-methylguanineA3FO60.72
6GO6-O-methylguanineA3GES0.72
MHZ5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINEA1I790.73
301N6-(penta-2,3-dienyl)adenineA3BW70.72
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.79
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.73
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.76
6GU6-chloroguanineA3FO40.71
6GU6-chloroguanineA3GOG0.71
6GU6-chloroguanineA3GER0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.72
3MA6-AMINO-3-METHYLPURINEA3MAG0.75
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B2AVN0.7
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA1XTP0.7
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B1IM80.7
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.7
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.7
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
5AAN6-DIMETHYL-3'-AMINO-ADENOSINE-
5'-MONOPHOSPHATE		0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ60.71
5AAN6-DIMETHYL-3'-AMINO-ADENOSINE-
5'-MONOPHOSPHATE		0,1,3,4,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		1VQ70.71
5AAN6-DIMETHYL-3'-AMINO-ADENOSINE-
5'-MONOPHOSPHATE		0,1,2,3,4,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ50.71
5AAN6-DIMETHYL-3'-AMINO-ADENOSINE-
5'-MONOPHOSPHATE		0,1,3,4,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		1VQ40.71
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.75
M1A6-AMINO-1-METHYLPURINEA1B420.75
NDM7,9-DIMETHYLGUANINEA1JSZ0.71
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A2O0L0.7
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A,B,C2PT60.7
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A,B,C2PT90.7
A2F2-fluoroadenineA3GOT0.73
A2F2-fluoroadenineA,B,C3GB90.73
MAOA1I720.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.76
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.74
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		A3E5F0.71
M8M5'-{[2-(aminooxy)ethyl](methyl)amino}-
5'-deoxy-8-methyladenosine		A,B3DZ50.71
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.8
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.7
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL		A1GPJ0.74
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.82
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine		A,B3DZ20.74
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.76
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.76
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA,B,C2C4T0.7
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA1Z3C0.7
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA,B,C2H2E0.7
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.82
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.8
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.79
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.79
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.71
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.72
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.72
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.74
3AD3'-DEOXYADENOSINEA,B3B4B0.7
3AD3'-DEOXYADENOSINEA,B3B4C0.7
3AD3'-DEOXYADENOSINEA,B1FA00.7
6AP9H-PURINE-2,6-DIAMINEA2B570.75
A43A,B,C,D,E,F363D0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.76