MMsINC Database Search
logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00538633

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DEAD-ERITADENINEA,B,C,D,E,F,
G,H		1K0U0.72
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.72
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.72
2BP9H-purin-2-amineA3G4M0.76
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.76
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA2ZTG0.7
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA1NJ60.7
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA2Z0K0.7
6AP9H-PURINE-2,6-DIAMINEA2B570.81
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.79
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
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.82
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.78
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.71
6GU6-chloroguanineA3FO40.76
6GU6-chloroguanineA3GOG0.76
6GU6-chloroguanineA3GER0.76
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.78
O8M2-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]acetamide		A,B3DZ70.73
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
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.8
37TTHEOBROMINEA2EFJ0.78
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
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.74
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
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.73
PM69H-purine-6-thiolA,B3BGD0.73
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.78
NDM7,9-DIMETHYLGUANINEA1JSZ0.71
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.76
XANXANTHINEA3GAO0.74
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U		3EUB0.74
XANXANTHINEA,B,C,D,E,F1YR30.74
XANXANTHINEA2UZ90.74
XANXANTHINEA,B,C,D,E,F,
G,H		2W3S0.74
XANXANTHINEA,B,C,D1A960.74
A2F2-fluoroadenineA3GOT0.79
A2F2-fluoroadenineA,B,C3GB90.79
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.79
301N6-(penta-2,3-dienyl)adenineA3BW70.76
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
C8M3-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]propanamide		A,B3DZ40.71
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.71
9MG9-METHYLGUANINEA1RRW0.72
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.73
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.83
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.82
A3SSERINE-3'-AMINOADENOSINEA2HL00.73
A3SSERINE-3'-AMINOADENOSINEA,B2HL10.73
A3SSERINE-3'-AMINOADENOSINEA1TKY0.73
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
2VA2'-(L-VALYL)AMINO-2'-DEOXYADENOSINEA1WNZ0.72
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.81
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.81
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU30.72
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU00.72
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
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
TEPTHEOPHYLLINEA1EHT0.76
TEPTHEOPHYLLINEA,B2A3A0.76
TEPTHEOPHYLLINEA1O150.76
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.75
103A,B,C1CUL0.71
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.91
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.91
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.91
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.91
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.91
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.91
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.91
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.91
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.91
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.73
M1A6-AMINO-1-METHYLPURINEA1B420.82
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B2AVN0.71
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA1XTP0.71
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B1IM80.71
6MP6-METHYLPURINEA,B,C1OU40.75
6MP6-METHYLPURINEA,B,C1OTY0.75
6MP6-METHYLPURINEA2PUA0.75
HPAHYPOXANTHINEA1PNR0.7
HPAHYPOXANTHINEA2EET0.7
HPAHYPOXANTHINEA2PUG0.7
HPAHYPOXANTHINEA1A9T0.7
HPAHYPOXANTHINEA1BDI0.7
HPAHYPOXANTHINEA1QQA0.7
HPAHYPOXANTHINEA1VFN0.7
HPAHYPOXANTHINEA1VPW0.7
HPAHYPOXANTHINEA2EEV0.7
HPAHYPOXANTHINEA1A9Q0.7
HPAHYPOXANTHINEA1A9R0.7
HPAHYPOXANTHINEA2EEU0.7
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W550.7
HPAHYPOXANTHINEA1JFT0.7
HPAHYPOXANTHINEA2EEW0.7
HPAHYPOXANTHINEA2PUD0.7
HPAHYPOXANTHINEA1QP70.7
HPAHYPOXANTHINEA,M1ZAY0.7
HPAHYPOXANTHINEA1JH90.7
HPAHYPOXANTHINEA2EES0.7
HPAHYPOXANTHINEA1JFS0.7
HPAHYPOXANTHINEA1QP00.7
HPAHYPOXANTHINEA1QPZ0.7
HPAHYPOXANTHINEA1U8D0.7
HPAHYPOXANTHINEA1QQB0.7
HPAHYPOXANTHINEA1BDH0.7
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W3R0.7
HPAHYPOXANTHINEA1QP40.7
HPAHYPOXANTHINEA,B,C3FNQ0.7
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
CFFCAFFEINEA,B1L5Q0.77
CFFCAFFEINEA,B2A3B0.77
CFFCAFFEINEA,B1L7X0.77
CFFCAFFEINEA1GFZ0.77
CFFCAFFEINEA,B3DDW0.77
CFFCAFFEINEA,B3DD10.77
CFFCAFFEINEA,B3DDS0.77
CFFCAFFEINEA1C8L0.77
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
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.77
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.77
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