MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02067850

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
PY3	5-[AMINO(IMINO)METHYL]-2-[({[6- [3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]- 3-(ISOPROPYLAMINO)-2-OXOPYRAZIN- 1(2H)-YL]ACETYL}AMINO)METHYL]-N- PYRIDIN-4-YLBENZAMIDE	H,L	1Z6J	0.71
FOL	FOLIC ACID	A	1PJ6	0.71
FOL	FOLIC ACID	A,B	1RD7	0.71
FOL	FOLIC ACID	A,B	1DHF	0.71
FOL	FOLIC ACID	A,B,C,D,E	1QZF	0.71
FOL	FOLIC ACID	A	4CD2	0.71
FOL	FOLIC ACID	A	1RX7	0.71
FOL	FOLIC ACID	A	1RX2	0.71
FOL	FOLIC ACID	A	1RX8	0.71
FOL	FOLIC ACID	A	1RA2	0.71
FOL	FOLIC ACID	A,B	1RE7	0.71
FOL	FOLIC ACID	A	7DFR	0.71
FOL	FOLIC ACID	A	1VIF	0.71
FOL	FOLIC ACID	A,B	1RB2	0.71
FOL	FOLIC ACID	A	1CD2	0.71
FOL	FOLIC ACID	A	2CD2	0.71
FOL	FOLIC ACID	A,B	1DYI	0.71
FOL	FOLIC ACID	A	1DRF	0.71
FOL	FOLIC ACID	A,B,C,D	3BMC	0.71
FOL	FOLIC ACID	A,B	2D0K	0.71
FOL	FOLIC ACID	A	1RA8	0.71
NOW	Nalpha-[(3-tert-butyl-1-methyl- 1H-pyrazol-5-yl)carbonyl]-N-[(2Z)- 2-iminoethyl]-3-methyl-L-phenylalaninamide	A,B,C,D	3HHA	0.73
P04	19-(cyclopropylamino)-4,6,7,15- tetrahydro-5H-16,1-(azenometheno)- 10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin- 8(9H)-one	A	3BE9	0.73
FSP	[1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)- 1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE	A,B	1TU6	0.7
MEF	N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7- hexahydroimidazo[1,5-f]pteridin- 8(9H)-yl]phenyl}carbonyl)-L-glutamic acid	A	3BGX	0.7
SX7	2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide	A,B	3DK3	0.72
SX7	2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide	A,B	3DK7	0.72
SX7	2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide	A,B	3DK6	0.72
MPY	(3E)-N-(2,6-DIETHYLPHENYL)-3-{[4- (4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4- C]PYRAZOLE-5(3H)-CARBOXAMIDE	A,B,C,D,E,F	2BMC	0.7
H7J	N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT- 3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}- 1,2-DIMETHYLPROPYL]BENZAMIDE	A,B,C	2HXZ	0.7
H7J	N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT- 3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}- 1,2-DIMETHYLPROPYL]BENZAMIDE	A,B	2H7J	0.7
19A	N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE	A	2OJG	0.71
20A	1-ethyl-N-(phenylmethyl)-4-(tetrahydro- 2H-pyran-4-ylamino)-1H-pyrazolo[3,4- b]pyridine-5-carboxamide	A	3D3P	0.75
I19	N-(4-{[(3S)-3-(dimethylamino)pyrrolidin- 1-yl]carbonyl}phenyl)-5-fluoro- 4-[2-methyl-1-(1-methylethyl)-1H- imidazol-5-yl]pyrimidin-2-amine	A	2W17	0.7
P38	5-methyl-4-[(2-methyl-5-{[(2-morpholin- 4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]- N-(1-phenylethenyl)pyrrolo[2,1- f][1,2,4]triazine-6-carboxamide	A	3BV2	0.73
LYB	2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO- 4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN- 5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY- BUTYRYLAMINO)-4-CARBOXY-BUTYRYLAMINO}- PENTANEDIOIC ACID	A,B	1JTU	0.7
LYA	2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID	A,B,C,D	1JUJ	0.72
LYA	2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID	A,B,C,D	1JU6	0.72
NNN	(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5- a][1,3,5]triazin-2-yl]amino}butan- 1-ol	A,B,C,D	3DOG	0.7
162	(2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-3-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL} -1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID	D,H	1NZQ	0.7
LZD	4-{[(2,6-difluorophenyl)carbonyl]amino}- N-[(3S)-piperidin-3-yl]-1H-pyrazole- 3-carboxamide	A	2VTT	0.71
N4D	N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4- d]pyrimidin-4-yl)amino]benzamide	A	3CG2	0.73
279	N-ethyl-4-{[5-(methoxycarbamoyl)- 2-methylphenyl]amino}-5-methylpyrrolo[2,1- f][1,2,4]triazine-6-carboxamide	A	2RG5	0.72
LZ9	{[(2,6-difluorophenyl)carbonyl]amino}- N-(4-fluorophenyl)-1H-pyrazole- 3-carboxamide	A	2VTP	0.7
P39	5-methyl-4-[(2-methyl-5-{[(3-morpholin- 4-ylphenyl)carbonyl]amino}phenyl)amino]- N-[(1S)-1-phenylethyl]pyrrolo[2,1- f][1,2,4]triazine-6-carboxamide	A	3BV3	0.71
FR8	1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(5-PHENYLPENTANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE	A	1QXL	0.7
LYD	2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID	A,B	1JUT	0.74
LY3	2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL- 5-YL)-BUTYRIC ACID	A,B	1JTQ	0.73
866	5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)- 3,3,3-trifluoro-2-hydroxypropyl]- 1-(4-fluorophenyl)-1H-pyrazole- 4-carboxamide	A,B	3E7C	0.77
287	4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}- 5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1- f][1,2,4]triazine-6-carboxamide	A	2RG6	0.71
BC3	2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one	A,B,C	3DJF	0.72
FR4	1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(3-PHENYLPROPANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE	A	1UML	0.71
DZF	5-DEAZAFOLIC ACID	A,B	2DHF	0.73
DZF	5-DEAZAFOLIC ACID	A,B	1DYH	0.73
DZF	5-DEAZAFOLIC ACID	A,B,C,D	1CDE	0.73
003	5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN- 1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4- D]PYRIMIDINE-4,6(5H,7H)-DIONE	A,B	2JFZ	0.71
2AZ	N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL- 5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1- F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]- 4-METHYLBENZAMIDE	A,B,D,E	2GM1	0.71
TMF	5,10-METHYLENE-6-HYDROFOLIC ACID	A	1BJG	0.71
TMF	5,10-METHYLENE-6-HYDROFOLIC ACID	A	1JBW	0.71
TMF	5,10-METHYLENE-6-HYDROFOLIC ACID	A	1LCE	0.71
LZA	{[(2,6-difluorophenyl)carbonyl]amino}- N-piperidin-4-yl-1H-pyrazole-3- carboxamide	A	2VTQ	0.71
8C5	8-cyclohexyl-N-methoxy-5-oxo-2- {[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}- 5,8-dihydropyrido[2,3-d]pyrimidine- 6-carboxamide	A	3DPK	0.72