Tan Lab | DSigDB

Gene Set: D4 : CTD - bivalirudin

Collection

D4 : CTD

Chemical Name

bivalirudin ( From PubChem : BIVALIRUDIN )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Approved	Not	Not	Not	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
2180.29 g/mol	28	57	0.5432	False(1/4)

Structure

InChI

InChI=1S/C98H138N24O33/c1-5-52(4)82(96(153)122-39-15-23-70(122)92(149)114-60(30-34-79(134)135)85(142)111-59(29-33-78(132)133)86(143)116-64(43-55-24-26-56(123)27-25-55)89(146)118-67(97(154)155)40-51(2)3)119-87(144)61(31-35-80(136)137)112-84(141)58(28-32-77(130)131)113-88(145)63(42-54-18-10-7-11-19-54)117-90(147)66(45-81(138)139)110-76(129)50-107-83(140)65(44-71(100)124)109-75(128)49-106-73(126)47-104-72(125)46-105-74(127)48-108-91(148)68-21-13-38-121(68)95(152)62(20-12-36-103-98(101)102)115-93(150)69-22-14-37-120(69)94(151)57(99)41-53-16-8-6-9-17-53/h6-11,16-19,24-27,51-52,57-70,82,123H,5,12-15,20-23,28-50,99H2,1-4H3,(H2,100,124)(H,104,125)(H,105,127)(H,106,126)(H,107,140)(H,108,148)(H,109,128)(H,110,129)(H,111,142)(H,112,141)(H,113,145)(H,114,149)(H,115,150)(H,116,143)(H,117,147)(H,118,146)(H,119,144)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,154,155)(H4,101,102,103)/t52-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,82-/m0/s1

InChIKey

OIRCOABEOLEUMC-GEJPAHFPSA-N

Links

Gene (6 / 12)

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Source	Type	Gene	Other
CTD	decreases(expression)	CRP	C074619
CTD	affects(binding)	F2	C074619
CTD	decreases(activity)	F2	C074619
CTD	decreases(reaction)	F2	C074619
CTD	increases(expression)	F2	C074619
CTD	decreases(activity)	F2	C074619
CTD	increases(cleavage)	F2	C074619
CTD	decreases(activity)	F2R	C074619
CTD	decreases(activity)	F2RL3	C074619
CTD	decreases(expression)	MPO	C074619
CTD	decreases(reaction)	SELP	C074619
CTD	increases(expression)	SELP	C074619

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