8DEA

Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0002376	biological_process	immune system process
A	0004252	molecular_function	serine-type endopeptidase activity
A	0005576	cellular_component	extracellular region
A	0005615	cellular_component	extracellular space
A	0006508	biological_process	proteolysis
A	0006956	biological_process	complement activation
A	0006957	biological_process	complement activation, alternative pathway
A	0008233	molecular_function	peptidase activity
A	0008236	molecular_function	serine-type peptidase activity
A	0016787	molecular_function	hydrolase activity
A	0031093	cellular_component	platelet alpha granule lumen
A	0031638	biological_process	zymogen activation
A	0034774	cellular_component	secretory granule lumen
A	0045087	biological_process	innate immune response
A	0051604	biological_process	protein maturation
A	0070062	cellular_component	extracellular exosome
A	1904813	cellular_component	ficolin-1-rich granule lumen
B	0002376	biological_process	immune system process
B	0004252	molecular_function	serine-type endopeptidase activity
B	0005576	cellular_component	extracellular region
B	0005615	cellular_component	extracellular space
B	0006508	biological_process	proteolysis
B	0006956	biological_process	complement activation
B	0006957	biological_process	complement activation, alternative pathway
B	0008233	molecular_function	peptidase activity
B	0008236	molecular_function	serine-type peptidase activity
B	0016787	molecular_function	hydrolase activity
B	0031093	cellular_component	platelet alpha granule lumen
B	0031638	biological_process	zymogen activation
B	0034774	cellular_component	secretory granule lumen
B	0045087	biological_process	innate immune response
B	0051604	biological_process	protein maturation
B	0070062	cellular_component	extracellular exosome
B	1904813	cellular_component	ficolin-1-rich granule lumen
C	0002376	biological_process	immune system process
C	0004252	molecular_function	serine-type endopeptidase activity
C	0005576	cellular_component	extracellular region
C	0005615	cellular_component	extracellular space
C	0006508	biological_process	proteolysis
C	0006956	biological_process	complement activation
C	0006957	biological_process	complement activation, alternative pathway
C	0008233	molecular_function	peptidase activity
C	0008236	molecular_function	serine-type peptidase activity
C	0016787	molecular_function	hydrolase activity
C	0031093	cellular_component	platelet alpha granule lumen
C	0031638	biological_process	zymogen activation
C	0034774	cellular_component	secretory granule lumen
C	0045087	biological_process	innate immune response
C	0051604	biological_process	protein maturation
C	0070062	cellular_component	extracellular exosome
C	1904813	cellular_component	ficolin-1-rich granule lumen
D	0002376	biological_process	immune system process
D	0004252	molecular_function	serine-type endopeptidase activity
D	0005576	cellular_component	extracellular region
D	0005615	cellular_component	extracellular space
D	0006508	biological_process	proteolysis
D	0006956	biological_process	complement activation
D	0006957	biological_process	complement activation, alternative pathway
D	0008233	molecular_function	peptidase activity
D	0008236	molecular_function	serine-type peptidase activity
D	0016787	molecular_function	hydrolase activity
D	0031093	cellular_component	platelet alpha granule lumen
D	0031638	biological_process	zymogen activation
D	0034774	cellular_component	secretory granule lumen
D	0045087	biological_process	innate immune response
D	0051604	biological_process	protein maturation
D	0070062	cellular_component	extracellular exosome
D	1904813	cellular_component	ficolin-1-rich granule lumen

Functional Information from PROSITE/UniProt

site_id	PS00134
Number of Residues	6
Details	TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LSAAHC

Chain	Residue	Details
A	LEU37-CYS42

---

site_id	PS00135
Number of Residues	12
Details	TRYPSIN_SER Serine proteases, trypsin family, serine active site. DSckGDSGGPLV

Chain	Residue	Details
A	ASP177-VAL188

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	Region: {"description":"Self-inhibitor loop","evidences":[{"source":"PubMed","id":"10022823","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9753554","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"PubMed","id":"7592653","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9753554","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"PubMed","id":"7592653","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"PubMed","id":"7592653","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21205667","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"22362762","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---