MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021327

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
IAG	N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID	A,B	1K8Z	0.7
IAG	N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID	A,B	1K7E	0.7
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.71
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.71
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.7
DMY	DISTAMYCIN A	A	217D	0.72
DMY	DISTAMYCIN A	A	1K2Z	0.72
DMY	DISTAMYCIN A	A,B,E,F	2JT7	0.72
DMY	DISTAMYCIN A	A,B	267D	0.72
DMY	DISTAMYCIN A	A	306D	0.72
DMY	DISTAMYCIN A	A	304D	0.72
DMY	DISTAMYCIN A	A	305D	0.72
DMY	DISTAMYCIN A	A	1JUX	0.72
DMY	DISTAMYCIN A	A	2DND	0.72
DMY	DISTAMYCIN A	A,B,C,D	378D	0.72
DMY	DISTAMYCIN A	B	1JTL	0.72
DMY	DISTAMYCIN A	A	159D	0.72
DMY	DISTAMYCIN A	A	216D	0.72
4AP	4-AMINOPYRIDINE	A	1AEG	0.71
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.76
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2I0T	0.75
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	A,B,C,D,K,L, M,N	2J57	0.75
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2OK4	0.75
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2IUR	0.75
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2AGW	0.75
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	A,B,H,L,M	2J56	0.75
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2IUV	0.75
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2OK6	0.75
9DG	9-DEAZAGUANINE	A,B,C,D,E	1Q2S	0.76
9DG	9-DEAZAGUANINE	A	1IL4	0.76
9DG	9-DEAZAGUANINE	A,C	1FSG	0.76
9DG	9-DEAZAGUANINE	A,B,C,D	1Q2R	0.76
FXN	5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID- (2-MERCAPTO-ETHYL)-AMIDE	A,B	1SHL	0.7
C53	2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE	A	2V0D	0.72
IND	INDOLE	A	1L4H	0.72
IND	INDOLE	A,B,G	1O7N	0.72
IND	INDOLE	A	185L	0.72
IND	INDOLE	A,B	1EG9	0.72
IND	INDOLE	A,B	1UUV	0.72
IND	INDOLE	A,C,E	2B24	0.72
IND	INDOLE	A,B,C,D,E,F	2P85	0.72
F10	2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE	X	2P3G	0.73
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.72
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.72
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.71
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.71
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.71
163	(2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-2-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID	D,H	1O0D	0.72
NCA	NICOTINAMIDE	A,B	2E5D	0.72
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.72
NCA	NICOTINAMIDE	A,B	1DMA	0.72
NCA	NICOTINAMIDE	A,B	1ISM	0.72
NCA	NICOTINAMIDE	A,B	1YC5	0.72
NCA	NICOTINAMIDE	A	2ZB7	0.72
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.72
NCA	NICOTINAMIDE	A,B	2QQG	0.72
NCA	NICOTINAMIDE	A	2OTV	0.72
NCA	NICOTINAMIDE	A	2QHF	0.72
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.72
NCA	NICOTINAMIDE	A,B	2HJH	0.72
NCA	NICOTINAMIDE	A	2A15	0.72
NCA	NICOTINAMIDE	A	2R6V	0.72
NCA	NICOTINAMIDE	A,B	1ISI	0.72
NCA	NICOTINAMIDE	A,D,E	2R9J	0.72
NCA	NICOTINAMIDE	A	2H4J	0.72
NCA	NICOTINAMIDE	A,B	2OD9	0.72
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.72
NCA	NICOTINAMIDE	A,B	3DZG	0.72
NCA	NICOTINAMIDE	A	1OJU	0.72
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
PYC	PYRROLE-2-CARBOXYLATE	A	1W62	0.84
PYC	PYRROLE-2-CARBOXYLATE	A,B	1L9D	0.84
PYC	PYRROLE-2-CARBOXYLATE	A,B	2CWH	0.84
PYC	PYRROLE-2-CARBOXYLATE	A,B	1W61	0.84
PYC	PYRROLE-2-CARBOXYLATE	A,B	1ELI	0.84
MYT	METYRAPONE	A	1PHG	0.71
MYT	METYRAPONE	A	1W0G	0.71
LZ5	N-phenyl-1H-pyrazole-3-carboxamide	A	2VTL	0.71
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	D,H	2OJY	0.74
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	A,D,H	2OIZ	0.74
19A	N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE	A	2OJG	0.73
3AP	3-AMINOPYRIDINE	A	1AEF	0.71
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE	A	1ZS5	0.72
39Z	5-HYDROXY-3-[(1R)-1-(1H-PYRROL- 2-YL)ETHYL]-2H-INDOL-2-ONE	A	2PE0	0.7
DBQ	DEBROMOHYMENIALDISINE	A	2C3J	0.75
DBQ	DEBROMOHYMENIALDISINE	A,B	1U4D	0.75
DBQ	DEBROMOHYMENIALDISINE	A	2CN8	0.75
DBQ	DEBROMOHYMENIALDISINE	A	1Z57	0.75
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,D,F,G,H, J,K,L,N,O,P	2GC4	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,H,L,M	2J55	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2Q7Q	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,G	1JMZ	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,E,G,I	2H47	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MG2	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,D,F,H,J,L, N,P	2GC7	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2OJY	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2IUP	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGX	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,D,H	2HJ4	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2HKR	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGZ	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,E,F	2H3X	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,D,H	2IUQ	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,G	1JMX	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,D,H	2HJB	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,C,H,L	2MTA	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,D,H	2OIZ	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,L,M	3C75	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AH0	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,C	1JJU	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,L,M	1MDA	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2HKM	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGY	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	L,M	2BBK	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	L	2MAD	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGL	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,E	2IAA	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AH1	0.74
BC3	2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one	A,B,C	3DJF	0.72
9HX	9-DEAZAHYPOXANTHINE	A,B,C	1I80	0.78
793	3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione	A	3FPM	0.71
AGE	(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide	A,B,C	3F07	0.75
517	1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA	A	2PE1	0.74
LTN	L-TRYPTOPHANAMIDE	A	1MAU	0.74
LTN	L-TRYPTOPHANAMIDE	A,B	2QUI	0.74
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.71
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.7
I3A	1H-INDOLE-3-CARBALDEHYDE	A,B,C,D	3BWL	0.75
I3A	1H-INDOLE-3-CARBALDEHYDE	A,B	2OU3	0.75
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	A,D,E,G,I,J	1S32	0.72
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	D,I,J	1M18	0.72
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M1A	0.72
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M19	0.72
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.77