MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03096724

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
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.74
FBQ	1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL	A	1HBJ	0.71
2FH	2-PHENYLHEME	A,B	1S13	0.73
IQA	(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID	A	1OM1	0.71
POO	3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID	A	2BRL	0.72
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.73
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.74
LCF	[6-(4-CHLOROPHENYL)-2,2-DIMETHYL- 7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN- 5-YL]ACETIC ACID	A	1ZYX	0.71
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.71
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.71
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.71
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.81
TTR	9-ACETYL-2,3,4,9-TETRAHYDRO-1H- CARBAZOL-1-ONE	A	2D82	0.71
C08	difluoro(5-{2-[(5-octyl-1H-pyrrol- 2-yl-kappaN)methylidene]-2H-pyrrol- 5-yl-kappaN}pentanoato)boron	A,B	2ZK6	0.71
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.7
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE	A	1DX4	0.71
DEU	CO(III)-(DEUTEROPORPHYRIN IX)	A,B	1PYZ	0.75
DEU	CO(III)-(DEUTEROPORPHYRIN IX)	A,B	1VL3	0.75
ITR	IMINO-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.75
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	A,B,C,D	1XES	0.73
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	B,C,D	1XET	0.73
6MR	N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]- D-TRYPTOPHAN	A,B	2OW0	0.7
BMS		A,B	1DKF	0.72
CRZ	4-(9H-CARBAZOL-9-YL)BUTANOIC ACID	A	1TOW	0.78
PAT	ALPHA-PHOSPHONO-TRYPTOPHAN	A,B	1I73	0.72
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.71
MNH	MANGANESE PROTOPORPHYRIN IX	X	2O5B	0.72
MNH	MANGANESE PROTOPORPHYRIN IX	A,B	2AYL	0.72
MNH	MANGANESE PROTOPORPHYRIN IX	X	2O5Q	0.72
DTR	D-TRYPTOPHAN	A,B,C,D	2R3C	0.74
DTR	D-TRYPTOPHAN	A	1XY8	0.74
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5D	0.74
DTR	D-TRYPTOPHAN	A	2V7K	0.74
DTR	D-TRYPTOPHAN	A,D	1CZQ	0.74
DTR	D-TRYPTOPHAN	A	1DFY	0.74
DTR	D-TRYPTOPHAN	A	1XY5	0.74
DTR	D-TRYPTOPHAN	A	1NXN	0.74
DTR	D-TRYPTOPHAN	A	1TKF	0.74
DTR	D-TRYPTOPHAN	A	1YL9	0.74
DTR	D-TRYPTOPHAN	A	1XXZ	0.74
DTR	D-TRYPTOPHAN	A	1XY4	0.74
DTR	D-TRYPTOPHAN	A,D	2Q3I	0.74
DTR	D-TRYPTOPHAN	A	1QFB	0.74
DTR	D-TRYPTOPHAN	A	1DFZ	0.74
DTR	D-TRYPTOPHAN	A	1XY9	0.74
DTR	D-TRYPTOPHAN	A	1XY6	0.74
DTR	D-TRYPTOPHAN	A	2SOC	0.74
DTR	D-TRYPTOPHAN	A	2JUE	0.74
DTR	D-TRYPTOPHAN	A	1SOC	0.74
DTR	D-TRYPTOPHAN	A	1YL8	0.74
DTR	D-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.74
DTR	D-TRYPTOPHAN	A,B	2Q33	0.74
DTR	D-TRYPTOPHAN	A	1DG0	0.74
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5B	0.74
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.72
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.72
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.72
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.72
MTK	MONTELUKAST	A	2NNI	0.74
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.72
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.72
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.72
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.72
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.72
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.72
PRL	PROFLAVIN	H,I	1BCU	0.72
PRL	PROFLAVIN	A,B,D,E	1QVT	0.72
PRL	PROFLAVIN	A,B	2KD4	0.72
PRL	PROFLAVIN	A	1QVU	0.72
4FW	4-FLUOROTRYPTOPHANE	A	1RM9	0.73
FTR	FLUOROTRYPTOPHANE	A	2JT8	0.73
FTR	FLUOROTRYPTOPHANE	A,B	1NF0	0.73
FTR	FLUOROTRYPTOPHANE	A	2JTZ	0.73
FTR	FLUOROTRYPTOPHANE	A,B	1I45	0.73
FTR	FLUOROTRYPTOPHANE	A,B	2ZNX	0.73
FTR	FLUOROTRYPTOPHANE	A,B	1NEY	0.73
FTR	FLUOROTRYPTOPHANE	A,B	5FWG	0.73
IOP	INDOLYLPROPIONIC ACID	A,B	1AHF	0.76
IOP	INDOLYLPROPIONIC ACID	A	2OLI	0.76
IOP	INDOLYLPROPIONIC ACID	A,B	2AY5	0.76
3IL	3-(INDOL-3-YL) LACTATE	A	2A7P	0.7
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.71
3IB	3-INDOLEBUTYRIC ACID	A,B	2AY6	0.77
3IB	3-INDOLEBUTYRIC ACID	A,B,C,E	2GJ6	0.77
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.72
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.72
BRF		A	1UUO	0.8
PYN	3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN- 1-YL-PROPIONYLAMINO)-ACRIDIN-3- YL]-PROPIONAMIDE	A,B	1L1H	0.7
LG2	6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID	A,B,C,D	1H9U	0.71
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.7
4PP		C,L	1XKA	0.72
4PP		A,B,C,D	1XKB	0.72
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.73
RSS	5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA- 12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)- HEXANOIC ACID	A,B	1MMP	0.71
HR1	(3R,5R)-7-[1-(4-FLUOROPHENYL)-3- ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO- 3H-PYRROLO[2,3-C]QUINOLIN-2-YL]- 3,5-DIHYDROXYHEPTANOIC ACID	A,B,C,D	2Q6C	0.71
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.72
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.72
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.72
THA	TACRINE	A,B	2AOW	0.72
THA	TACRINE	A,B,C,D,E,F	1MX1	0.72
THA	TACRINE	A,B	2AOX	0.72
THA	TACRINE	A	1ACJ	0.72
FT6	6-FLUORO-L-TRYPTOPHAN	A,B	2NW9	0.73
TCR	CYCLOMETHYLTRYPTOPHAN	A	3AIG	0.76
PF7	4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid	A,B	2VYA	0.73
KAW	N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-tryptophan	A	3BKL	0.7
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.72
DPS	3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID	A	1CAQ	0.71
DPS	3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID	A	1CIZ	0.71
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.78
238		A	2PRH	0.75
4IN	4-AMINO-L-TRYPTOPHAN	A,B	2HXX	0.72
4IN	4-AMINO-L-TRYPTOPHAN	A	1OXF	0.72
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.75
115	7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL- 1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID	A,B,C,D	1HWI	0.77
QND	QUINALDIC ACID	A,B	1IDA	0.78
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.75
MNR	PROTOPORPHYRIN IX CONTAINING MN	A	2FE6	0.72
MNR	PROTOPORPHYRIN IX CONTAINING MN	A	2FER	0.72
MNR	PROTOPORPHYRIN IX CONTAINING MN	X	2O58	0.72
MNR	PROTOPORPHYRIN IX CONTAINING MN	X	2O5L	0.72
MNR	PROTOPORPHYRIN IX CONTAINING MN	X	2O5O	0.72
MNR	PROTOPORPHYRIN IX CONTAINING MN	X	2O5M	0.72
MNR	PROTOPORPHYRIN IX CONTAINING MN	A,B	2FEU	0.72
TRF	N1-FORMYL-TRYPTOPHAN	A,B	1VRK	0.73
TRF	N1-FORMYL-TRYPTOPHAN	A,B,C,D	1QS7	0.73
HEG	PROTOPORPHYRIN IX CONTAINING MG	A,B,C,D	1QSH	0.72
HEG	PROTOPORPHYRIN IX CONTAINING MG	A,B,C,D	1QSI	0.72