Binding characteristics of synthesized compounds (8a–8g and 9a–9d) and references against COX-2 protein.

Compound	BE	Bonding interaction	Bond length(Å)	Bond angle (°)	Bond type
Celecoxib	−7.2.	Lys 235 CZ⋯HN	2.4	118.3	H–don
8a	−5.6	Arg 293 CB⋯OH	2.5	108.8	H–acc
		Asn 556 CZ⋯HN	2.7	112.7	H–don
8b	−8.7	Asn 268 CB⋯OS	2.6	100.3	H–acc
8c	−9.4	Gly 310 CB⋯ON	2.6	119.3	H–acc
		Gln 313 CB⋯OS	2.4	101.0	H–acc
8d	−8.6	Asn 268 CB⋯OC	2.6	86.1	H–acc
		Asn 268 CA⋯OS	2.2	106.3	H–acc
8e	−9.0	Asn 268 CB⋯OS	2.1	91.1	H–acc
		Asn 268 CA⋯OC	2.7	104.7	H–acc
		Arg 414 CZ⋯ON	2.5	116.0	H–acc
8f	−8.5	Asp 143 CA⋯OC	2.4	117.9	H–acc
		Asp 143 CZ⋯OC	2.6	104.9	H–acc
8g	−8.6	Asn 567 CA⋯OS	2.5	66.7	H–acc
		Asn 567 CZ⋯OS	2.2	78.4	H–acc
		Gln 336 CZ⋯OC	2.6	90.3	H–acc
		Gln 336 CZ⋯HO	1.9	98.7	H–don
9a	−8.0	Asp 143 CB⋯OH	2.3	89.9	H–acc
9b	−8.7	Asn 556 CZ⋯HN	2.2	99.7	H–don
9c	−7.1	Ser 457 CB⋯HN	2.6	120.0	H–don
9d	−7.3	Asn 556 CZ⋯OC	2.2	117.3	H–acc