MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01121006

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
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	A,B,C,D	1XES	0.7
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	B,C,D	1XET	0.7
BLV	BILIVERDIN IX GAMMA CHROMOPHORE	A	1Z24	0.72
BLV	BILIVERDIN IX GAMMA CHROMOPHORE	A,B,C,D	1BBP	0.72
SU1	3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL- 2-YL)METHYLENE]-2-INDOLINONE	A,B	1FGI	0.72
TCR	CYCLOMETHYLTRYPTOPHAN	A	3AIG	0.72
CP3	COPROPORPHYRIN III	A	1R3T	0.76
CP3	COPROPORPHYRIN III	A	1R3W	0.76
CP3	COPROPORPHYRIN III	A	1R3Y	0.76
CP3	COPROPORPHYRIN III	A	2Q71	0.76
BLA	BILIVERDINE IX ALPHA	A	1HE2	0.74
BLA	BILIVERDINE IX ALPHA	A	1ZTU	0.74
BLA	BILIVERDINE IX ALPHA	A	2D1E	0.74
BLA	BILIVERDINE IX ALPHA	A,B	2C7J	0.74
BLA	BILIVERDINE IX ALPHA	A,B,K,L	1EYX	0.74
BLA	BILIVERDINE IX ALPHA	A	1BVC	0.74
BLA	BILIVERDINE IX ALPHA	A,B	1KTP	0.74
BLA	BILIVERDINE IX ALPHA	A,B	2C7K	0.74
BLA	BILIVERDINE IX ALPHA	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	2UUL	0.74
BLA	BILIVERDINE IX ALPHA	A	1S8C	0.74
BLA	BILIVERDINE IX ALPHA	A,B,C,D,E,F, G,H	3C2W	0.74
BLA	BILIVERDINE IX ALPHA	A,B	2C7L	0.74
BLA	BILIVERDINE IX ALPHA	A,B,C,D	2VGR	0.74
BLA	BILIVERDINE IX ALPHA	A	1J2C	0.74
BLA	BILIVERDINE IX ALPHA	A,B	3BRP	0.74
BLA	BILIVERDINE IX ALPHA	A	1BVD	0.74
BLA	BILIVERDINE IX ALPHA	A,B,K,L,M,N	1F99	0.74
BLA	BILIVERDINE IX ALPHA	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	2UUM	0.74
BLA	BILIVERDINE IX ALPHA	A,B	2VUE	0.74
BLA	BILIVERDINE IX ALPHA	A,B,C,D,E,F, H,I,J,K,L,M	1B33	0.74
BLA	BILIVERDINE IX ALPHA	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	2UUN	0.74
BLA	BILIVERDINE IX ALPHA	A,B,C,D	2VCK	0.74
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.76
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.72
DTR	D-TRYPTOPHAN	A,B,C,D	2R3C	0.73
DTR	D-TRYPTOPHAN	A	1XY8	0.73
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5D	0.73
DTR	D-TRYPTOPHAN	A	2V7K	0.73
DTR	D-TRYPTOPHAN	A,D	1CZQ	0.73
DTR	D-TRYPTOPHAN	A	1DFY	0.73
DTR	D-TRYPTOPHAN	A	1XY5	0.73
DTR	D-TRYPTOPHAN	A	1NXN	0.73
DTR	D-TRYPTOPHAN	A	1TKF	0.73
DTR	D-TRYPTOPHAN	A	1YL9	0.73
DTR	D-TRYPTOPHAN	A	1XXZ	0.73
DTR	D-TRYPTOPHAN	A	1XY4	0.73
DTR	D-TRYPTOPHAN	A,D	2Q3I	0.73
DTR	D-TRYPTOPHAN	A	1QFB	0.73
DTR	D-TRYPTOPHAN	A	1DFZ	0.73
DTR	D-TRYPTOPHAN	A	1XY9	0.73
DTR	D-TRYPTOPHAN	A	1XY6	0.73
DTR	D-TRYPTOPHAN	A	2SOC	0.73
DTR	D-TRYPTOPHAN	A	2JUE	0.73
DTR	D-TRYPTOPHAN	A	1SOC	0.73
DTR	D-TRYPTOPHAN	A	1YL8	0.73
DTR	D-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.73
DTR	D-TRYPTOPHAN	A,B	2Q33	0.73
DTR	D-TRYPTOPHAN	A	1DG0	0.73
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5B	0.73
ITR	IMINO-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.73
C08	difluoro(5-{2-[(5-octyl-1H-pyrrol- 2-yl-kappaN)methylidene]-2H-pyrrol- 5-yl-kappaN}pentanoato)boron	A,B	2ZK6	0.71
PEB	PHYCOERYTHROBILIN	A,B	1PHN	0.72
PEB	PHYCOERYTHROBILIN	A,B,C,D	1QGW	0.72
PEB	PHYCOERYTHROBILIN	A,B,C,D	1XG0	0.72
PEB	PHYCOERYTHROBILIN	A,B,C,D,E,F, K,L,M,N,O,P	2BV8	0.72
PEB	PHYCOERYTHROBILIN	A,B,C,D	2VJH	0.72
PEB	PHYCOERYTHROBILIN	A,B,K,L,M,N	1F99	0.72
PEB	PHYCOERYTHROBILIN	A,B,K,L	1B8D	0.72
PEB	PHYCOERYTHROBILIN	A,B,C,D	1XF6	0.72
PAT	ALPHA-PHOSPHONO-TRYPTOPHAN	A,B	1I73	0.7
IAV	N-[1H-INDOL-3-YL-ACETYL]VALINE ACID	A,B	1K7F	0.7
PP9	PROTOPORPHYRIN IX	A	1Z53	0.71
PP9	PROTOPORPHYRIN IX	A,B,C,D	2HRE	0.71
PP9	PROTOPORPHYRIN IX	A,B	2QD5	0.71
PP9	PROTOPORPHYRIN IX	A	1HRS	0.71
PP9	PROTOPORPHYRIN IX	A,B,C,D	2QD1	0.71
4IN	4-AMINO-L-TRYPTOPHAN	A,B	2HXX	0.71
4IN	4-AMINO-L-TRYPTOPHAN	A	1OXF	0.71
FT6	6-FLUORO-L-TRYPTOPHAN	A,B	2NW9	0.71
H02	N-METHYL PROTOPORPHYRIN IX 2,4- DISULFONIC ACID	A	2Q3J	0.72
MBV	MESOBILIVERDIN IV ALPHA	A	1HE3	0.75
2S8	(2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid	B	3C6N	0.7
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.73
4FW	4-FLUOROTRYPTOPHANE	A	1RM9	0.71
IOP	INDOLYLPROPIONIC ACID	A,B	1AHF	0.73
IOP	INDOLYLPROPIONIC ACID	A	2OLI	0.73
IOP	INDOLYLPROPIONIC ACID	A,B	2AY5	0.73
FTR	FLUOROTRYPTOPHANE	A	2JT8	0.71
FTR	FLUOROTRYPTOPHANE	A,B	1NF0	0.71
FTR	FLUOROTRYPTOPHANE	A	2JTZ	0.71
FTR	FLUOROTRYPTOPHANE	A,B	1I45	0.71
FTR	FLUOROTRYPTOPHANE	A,B	2ZNX	0.71
FTR	FLUOROTRYPTOPHANE	A,B	1NEY	0.71
FTR	FLUOROTRYPTOPHANE	A,B	5FWG	0.71
LBV		A	2O9B	0.74
LBV		A,B	2OOL	0.74
LBV		A	2O9C	0.74
DBV	15,16-DIHYDROBILIVERDIN	A,B,C,D	1XF6	0.72
DBV	15,16-DIHYDROBILIVERDIN	A,B,C,D	1QGW	0.72
DBV	15,16-DIHYDROBILIVERDIN	A,B,C,D	1XG0	0.72
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.71
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.71
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.71
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.71
1CP	COPROPORPHYRIN I	A	1R3S	0.76
1CP	COPROPORPHYRIN I	A	1R3V	0.76
1CP	COPROPORPHYRIN I	A	1R3Q	0.76
3IB	3-INDOLEBUTYRIC ACID	A,B	2AY6	0.75
3IB	3-INDOLEBUTYRIC ACID	A,B,C,E	2GJ6	0.75
PUB	PHYCOUROBILIN	A,B,K,L	1B8D	0.73
PUB	PHYCOUROBILIN	A,B,K,L	1LIA	0.73
PUB	PHYCOUROBILIN	A,B,K,L	1EYX	0.73
PUB	PHYCOUROBILIN	A,B,C,D	2VJH	0.73
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	1GH0	0.75
CYC	PHYCOCYANOBILIN	A,B	2VJR	0.75
CYC	PHYCOCYANOBILIN	A,B,K,L,M,N	1F99	0.75
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, H,I,J,K,L,M	1B33	0.75
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	2UUM	0.75
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	2UUN	0.75
CYC	PHYCOCYANOBILIN	A,B	2C7L	0.75
CYC	PHYCOCYANOBILIN	A,B,K,L	1CPC	0.75
CYC	PHYCOCYANOBILIN	A,B	1JBO	0.75
CYC	PHYCOCYANOBILIN	A,B	1I7Y	0.75
CYC	PHYCOCYANOBILIN	A,B	1ON7	0.75
CYC	PHYCOCYANOBILIN	A,B,K,L	1EYX	0.75
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	1HA7	0.75
CYC	PHYCOCYANOBILIN	A,B	1ALL	0.75
CYC	PHYCOCYANOBILIN	A,B	1KTP	0.75
CYC	PHYCOCYANOBILIN	A,B	2C7K	0.75
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	2UUL	0.75
CYC	PHYCOCYANOBILIN	A	2VEA	0.75
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H,I,J,K,L	2VML	0.75
CYC	PHYCOCYANOBILIN	A	2K2N	0.75
CYC	PHYCOCYANOBILIN	A,B	2VJT	0.75
CYC	PHYCOCYANOBILIN	A,B	1PHN	0.75
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H	3DBJ	0.75
CYC	PHYCOCYANOBILIN	A,B	2G9M	0.75
CYC	PHYCOCYANOBILIN	A,B	1KN1	0.75
CYC	PHYCOCYANOBILIN	A,B,K,L	1LIA	0.75
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, K,L,M,N,O,P	2BV8	0.75
CYC	PHYCOCYANOBILIN	A,B	2C7J	0.75
CYC	PHYCOCYANOBILIN	A,B	2V8A	0.75
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2I0T	0.71
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	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2OK4	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2IUR	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2AGW	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	A,B,H,L,M	2J56	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2IUV	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2OK6	0.71
PBG	3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)- 1H-PYRROL-3-YL]PROPANOIC ACID	A,B	1E51	0.72
PBG	3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)- 1H-PYRROL-3-YL]PROPANOIC ACID	A	1OHL	0.72