basic_info |
|
| Product_Name： | CAMKKA, CALMODULIN BINDING DOMAIN |
| EnglishSynonyms： | FPNGFSRKRLMSKVLIVTTWSPIL ; CAMKKA, CALMODULIN BINDING DOMAIN |
| pro_mdlNumber： | MFCD18252103 |
| pro_acceptors： | 65 |
| pro_donors： | 38 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](Cc6ccccc6)N |
| InChi： | InChI=1S/C131H212N34O31S/c1-18-73(13)103(123(189)154-93(129(195)196)58-70(7)8)161-120(186)98-47-35-54-165(98)128(194)96(67-168)157-115(181)91(61-79-63-142-82-41-27-26-40-80(79)82)153-125(191)105(75(15)169)163-126(192)106(76(16)170)162-122(188)102(72(11)12)159-124(190)104(74(14)19-2)160-116(182)89(57-69(5)6)152-121(187)101(71(9)10)158-112(178)84(43-29-31-50-133)147-117(183)94(65-166)155-111(177)87(48-55-197-17)149-113(179)88(56-68(3)4)150-110(176)86(45-33-52-141-131(138)139)146-108(174)83(42-28-30-49-132)145-109(175)85(44-32-51-140-130(136)137)148-118(184)95(66-167)156-114(180)90(60-78-38-24-21-25-39-78)144-100(172)64-143-107(173)92(62-99(135)171)151-119(185)97-46-34-53-164(97)127(193)81(134)59-77-36-22-20-23-37-77/h20-27,36-41,63,68-76,81,83-98,101-106,142,166-170H,18-19,28-35,42-62,64-67,132-134H2,1-17H3,(H2,135,171)(H,143,173)(H,144,172)(H,145,175)(H,146,174)(H,147,183)(H,148,184)(H,149,179)(H,150,176)(H,151,185)(H,152,187)(H,153,191)(H,154,189)(H,155,177)(H,156,180)(H,157,181)(H,158,178)(H,159,190)(H,160,182)(H,161,186)(H,162,188)(H,163,192)(H,195,196)(H4,136,137,140)(H4,138,139,141)/t73-,74-,75+,76+,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,101-,102-,103-,104-,105-,106-/m0/s1 |
| InChiKey： | InChIKey=BGQGBUIVGRCPOH-JMSQVENSSA-N |
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