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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02408615

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBDN6-BENZYL-NICOTINAMIDE-ADENINE-
DINUCLEOTIDE		A,B,C,D1GYQ0.72
YE1A,B,C2PG80.72
YE1A,B,C2NP90.72
3BK(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-
dichlorophenyl)methylamino]purin-
9-yl]-5-(hydroxymethyl)oxolane-
3,4-diol		A3FZK0.74
NMDN-NAPHTHALEN-1-YLMETHYL-2'-[3,5-
DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE		A,B,C,D,E,F1I320.78
AGNA1GNP0.78
TNDN-1,2,3,4-TETRAHYDRONAPHTH-1-YL-
2'-[3,5-DIMETHOXYBENZAMIDO]-2'-
DEOXY-ADENOSINE		A,B,C,D,E,F1I330.79
TYAA3TS10.72
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.73
MNT2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-
5'-DIPHOSPHATE		A1LVK0.84
ABR(R)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE		A1K5E0.77
BCA4-HYDROXYBENZOYL COENZYME AA,B,C1NZY0.73
BCA4-HYDROXYBENZOYL COENZYME AA,B,C1JXZ0.73
BCA4-HYDROXYBENZOYL COENZYME AA1LO90.73
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE		A,P,T2JEF0.74
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE		A,P,T2JEG0.74
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE		A,T2JEI0.74
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE		A,P,T2JEJ0.74
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B2ALY0.76
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B1VBM0.76
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B1VBN0.76
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B2PID0.76
ONAA,C2GVZ0.82
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.71
NBSA1KSW0.72
DOT3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-
5'-TRIPHOSPHATE		A,B,C,D,E,F1LVC0.84
4CO4-HYDROXYPHENACYL COENZYME AA,B1Q4T0.73
4CO4-HYDROXYPHENACYL COENZYME AA1LO70.73
T121-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-
1H-BENZIMIDAZOL-5-YL PIVALATE		A,B,C,D2NRU0.7
CND5-BETA-D-RIBOFURANOSYLNICOTINAMIDE ADENINE DINUCLEOTIDEA,B1ADB0.75
NDCNICOTINAMIDE ADENINE DINUCLEOTIDE CYCLOHEXANONEA1B2L0.71
PAD5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-
DINUCLEOTIDE		A1A720.73
PAD5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-
DINUCLEOTIDE		A,B1ADC0.73
MYD{[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDROXY-
TETRAHYDRO-FURAN-2-YLMETHOXY]-HYDROXY-
PHOSPHORYLMETHYL}-PHOSPHONIC ACID MONO-
[2-(4-HYDROXY-6-METHOXY-7-METHYL-
3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-
5-YL)-ETHYL] ESTER		A,B1NF70.72
4CA4-HYDROXYBENZYL COENZYME AA1LO80.7
4CA4-HYDROXYBENZYL COENZYME AA1Q4U0.7
R6C(2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-
9H-PURIN-2-YL]AMINO}BUTAN-1-OL		A1YHJ0.71
FYAADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]A,B2IY50.73
FYAADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]A1B7Y0.73
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY70.71
TYMTRYPTOPHANYL-5'AMPA,B2QUJ0.7
TYMTRYPTOPHANYL-5'AMPA1I6K0.7
TYMTRYPTOPHANYL-5'AMPA,B1R6U0.7
TYMTRYPTOPHANYL-5'AMPA1I6M0.7
TYMTRYPTOPHANYL-5'AMPA,B1R6T0.7
TYMTRYPTOPHANYL-5'AMPA1I6L0.7
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D,E,F1KQO0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B2H290.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1NUQ0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA1WXG0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D,E,F1KAQ0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1EE10.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D3E270.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA1XQD0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B2H2A0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1IFX0.72
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1XNG0.72
GRDbenzyl (S)-1-((2S,3S)-1-(3-(6-amino-
9H-purin-9-yl)propylamino)-2-hydroxy-
1-oxopentan-3-ylamino)-4-methyl-
1-oxopentan-2-ylcarbamate		A2R9C0.77
PUYPUROMYCINA,B2DPT0.78
PUYPUROMYCIN1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1Q7Y0.78
PU79-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
9H-PURIN-6-YLAMINE		A1UYC0.72
ANZA2V0C0.75
ANZA,B,D,F2V0G0.75
DG1(4S)-ISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE		A2PR20.71
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE		A1UYM0.72
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE		A1UY60.72
3GO4-[[(2R,3S,4R,5R)-5-[6-amino-8-
(quinolin-6-ylmethylamino)purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile		A3FZM0.73
LNC(3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) NICOTINAMIDE-
ADENINE-DINUCLEOTIDE		A,B5LDH0.73
CL4N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-
DIHYDROXY-TETRAHYDRO-FURAN-2-YL]-
ALLYL}-2,3-DIHYDROXY-5-NITRO-BENZAMIDE		A1JR40.73
PU59-BUTYL-8-(3-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY80.72
PPUPUROMYCIN-5'-MONOPHOSPHATE51NJP0.76
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z		1VQN0.76
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQO0.76
PPUPUROMYCIN-5'-MONOPHOSPHATE0,51NJM0.76
PPUPUROMYCIN-5'-MONOPHOSPHATE51NJO0.76
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQL0.76
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,2,3,4,9,
A,B,C,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQM0.76
PPUPUROMYCIN-5'-MONOPHOSPHATE1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1Q820.76
PPUPUROMYCIN-5'-MONOPHOSPHATE0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.76
PPUPUROMYCIN-5'-MONOPHOSPHATEB1FG00.76
PPUPUROMYCIN-5'-MONOPHOSPHATE1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1Q810.76
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,3,4,9,A,
B,C,F,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		3CD60.76
PPUPUROMYCIN-5'-MONOPHOSPHATE0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQP0.76
PU09-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
2-FLUORO-9H-PURIN-6-YLAMINE		A1UYH0.7
YMPO-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)PHOSPHORAMIDATEX,Y2DLC0.75
ZZBA2WFG0.73
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.7
NHONICOTINAMIDE-ADENINE-DINUCLEOTIDE-
5-HYDROXY-4-OXONORVALINE		A,B1Q7G0.71
PU89-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-
BENZYL)-9H-PURIN-6-YLAMINE		A1UYD0.72
PUX8-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE		A1UYK0.71
PU68-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-9H-		A1UY90.72
NAQNICOTINAMIDE ADENINE DINUCLEOTIDE 3-
PENTANONE ADDUCT		A,B1B160.71
ZIDISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE		A2IE00.7
ZIDISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE		A2IEB0.7
ZIDISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE		A2NV60.7
ZIDISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE		A1ZID0.7
ZIDISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE		A2IDZ0.7
ZIDISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE		A,B2NQ80.7
ABS(S)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE		A1K5F0.77
N414-(6-CYCLOHEXYLMETHOXY-9H-PURIN-
2-YLAMINO)--BENZAMIDE		A,B,C,D1OIY0.72
01A4-Chlorophenacyl-coenzyme AA,B3CW90.75
3FD4-[[(2R,3S,4R,5R)-5-[6-amino-8-
[(3,4-dichlorophenyl)methylamino]purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile		A3FZL0.8
FA5ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]A3CMQ0.77
FA5ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]A,B1JJC0.77
00A5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosineX3CW80.85
EADA2H9I0.71
FREFERULOYL COENZYME AA,B,C,D1SUI0.7
DZD5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-
carbamoylbenzyl)-4-hydroxypyrrolidin-
3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine		A,D3D4B0.75
PU98-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-
9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE		A1UYE0.71
PVBPURVALANOLA1CKP0.77
PVBPURVALANOLA,B1V0P0.77
HYCO5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-
ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE		A1I5R0.76
ONM3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-
5'-TRIPHOSPHATE		A,C1TL70.76
ONM3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-
5'-TRIPHOSPHATE		A,C1U0H0.76
P1HA,B2NTJ0.71
P1HA,B2NTV0.71
NXXA,B,C,D3DLA0.72
NXXA,B,C2QTR0.72
NAENICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCTA,B1B150.71
NDEA,B1N1E0.72
1DG(4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE		A2CIG0.71