MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004697

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
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2I0T	0.74
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	0.74
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2OK4	0.74
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2IUR	0.74
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2AGW	0.74
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	A,B,H,L,M	2J56	0.74
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2IUV	0.74
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2OK6	0.74
3AP	3-AMINOPYRIDINE	A	1AEF	0.72
NCA	NICOTINAMIDE	A,B	2E5D	0.73
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.73
NCA	NICOTINAMIDE	A,B	1DMA	0.73
NCA	NICOTINAMIDE	A,B	1ISM	0.73
NCA	NICOTINAMIDE	A,B	1YC5	0.73
NCA	NICOTINAMIDE	A	2ZB7	0.73
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.73
NCA	NICOTINAMIDE	A,B	2QQG	0.73
NCA	NICOTINAMIDE	A	2OTV	0.73
NCA	NICOTINAMIDE	A	2QHF	0.73
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.73
NCA	NICOTINAMIDE	A,B	2HJH	0.73
NCA	NICOTINAMIDE	A	2A15	0.73
NCA	NICOTINAMIDE	A	2R6V	0.73
NCA	NICOTINAMIDE	A,B	1ISI	0.73
NCA	NICOTINAMIDE	A,D,E	2R9J	0.73
NCA	NICOTINAMIDE	A	2H4J	0.73
NCA	NICOTINAMIDE	A,B	2OD9	0.73
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.73
NCA	NICOTINAMIDE	A,B	3DZG	0.73
NCA	NICOTINAMIDE	A	1OJU	0.73
9HX	9-DEAZAHYPOXANTHINE	A,B,C	1I80	0.79
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE	A	1ZS5	0.71
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
F10	2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE	X	2P3G	0.72
793	3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione	A	3FPM	0.7
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
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.72
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.72
C53	2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE	A	2V0D	0.73
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.72
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.72
PYC	PYRROLE-2-CARBOXYLATE	A	1W62	0.85
PYC	PYRROLE-2-CARBOXYLATE	A,B	1L9D	0.85
PYC	PYRROLE-2-CARBOXYLATE	A,B	2CWH	0.85
PYC	PYRROLE-2-CARBOXYLATE	A,B	1W61	0.85
PYC	PYRROLE-2-CARBOXYLATE	A,B	1ELI	0.85
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	0.7
LZ5	N-phenyl-1H-pyrazole-3-carboxamide	A	2VTL	0.71
BC3	2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one	A,B,C	3DJF	0.7
9DG	9-DEAZAGUANINE	A,B,C,D,E	1Q2S	0.77
9DG	9-DEAZAGUANINE	A	1IL4	0.77
9DG	9-DEAZAGUANINE	A,C	1FSG	0.77
9DG	9-DEAZAGUANINE	A,B,C,D	1Q2R	0.77
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	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,H,L,M	2J55	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2Q7Q	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,G	1JMZ	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,E,G,I	2H47	0.73
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	0.73
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	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2OJY	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2IUP	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGX	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,D,H	2HJ4	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2HKR	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGZ	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,E,F	2H3X	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,D,H	2IUQ	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,G	1JMX	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,D,H	2HJB	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,C,H,L	2MTA	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,D,H	2OIZ	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,L,M	3C75	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AH0	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,C	1JJU	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,L,M	1MDA	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2HKM	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGY	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	L,M	2BBK	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	L	2MAD	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGL	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,E	2IAA	0.73
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AH1	0.73
4AP	4-AMINOPYRIDINE	A	1AEG	0.72
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	D,H	2OJY	0.73
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	A,D,H	2OIZ	0.73
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
I3A	1H-INDOLE-3-CARBALDEHYDE	A,B,C,D	3BWL	0.74
I3A	1H-INDOLE-3-CARBALDEHYDE	A,B	2OU3	0.74
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.74
19A	N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE	A	2OJG	0.72
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.7
LTN	L-TRYPTOPHANAMIDE	A	1MAU	0.73
LTN	L-TRYPTOPHANAMIDE	A,B	2QUI	0.73
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
AGE	(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide	A,B,C	3F07	0.74
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.71
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.71
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.71
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.71
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.71
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.71
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.77
517	1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA	A	2PE1	0.73